Products Categories
| CAS No.: | 181139-72-0 |
|---|---|
| Name: | METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE |
| Article Data: | 17 |
| Molecular Structure: | |
|
|
|
| Formula: | C28H24ClNO3 |
| Molecular Weight: | 457.956 |
| Synonyms: | Benzoicacid, 2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]-,methyl ester, [S-(E)]-;Methyl(S),(E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate;Methyl2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate; |
| Density: | 1.279 g/cm3 |
| Melting Point: | 84 °C(Solv: methanol (67-56-1)) |
| Boiling Point: | 643.972 °C at 760 mmHg |
| Flash Point: | 343.262 °C |
| PSA: | 59.42000 |
| LogP: | 6.51140 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
What can I do for you?
Get Best Price
Specification
The Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate is an organic compound with the formula C28H24ClNO3. The systematic name of this chemical is methyl 2-[(3S)-3-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoate. With the CAS registry number 181139-72-0, it is also named as benzoic acid, 2-[(3S)-3-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]-, methyl ester. In addition, the molecular weight is 457.95.
The other characteristics of Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate can be summarized as: (1)ACD/LogP: 5.10; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 59.42 Å2; (7)Index of Refraction: 1.687; (8)Molar Refractivity: 136.456 cm3; (9)Molar Volume: 358.104 cm3; (10)Polarizability: 54.095×10-24 cm3; (11)Surface Tension: 57.143 dyne/cm; (12)Density: 1.279 g/cm3; (13)Flash Point: 343.262 °C; (14)Enthalpy of Vaporization: 99.855 kJ/mol; (15)Boiling Point: 643.972 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)c1ccccc1CC[C@H](O)c2cccc(c2)\C=C\c3nc4cc(Cl)ccc4cc3
2. InChI:InChI=1/C28H24ClNO3/c1-33-28(32)25-8-3-2-6-20(25)12-16-27(31)22-7-4-5-19(17-22)9-14-24-15-11-21-10-13-23(29)18-26(21)30-24/h2-11,13-15,17-18,27,31H,12,16H2,1H3/b14-9+/t27-/m0/s1
3. InChIKey:KPCSDMZEMDMWKQ-SPNSGGJLBO
4. Std. InChI:InChI=1S/C28H24ClNO3/c1-33-28(32)25-8-3-2-6-20(25)12-16-27(31)22-7-4-5-19(17-22)9-14-24-15-11-21-10-13-23(29)18-26(21)30-24/h2-11,13-15,17-18,27,31H,12,16H2,1H3/b14-9+/t27-/m0/s1
5. Std. InChIKey:KPCSDMZEMDMWKQ-SPNSGGJLSA-N