CAS No.391210-10-9,PD 0325901 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	391210-10-9
Name:	PD 0325901
Article Data:	7

Formula:	C₁₆H₁₄F₃IN₂O₄
Molecular Weight:	482.198
Synonyms:	N-[(2R)-2,3-Dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide;(R)-(-)-N-(2,3-dihydroxy-propoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-benzamide;Benzamide, N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-;
EINECS:	687-152-7
Density:	1.818 g/cm³
Melting Point:	112-114 °C
Appearance:	white powder
Hazard Symbols:	T,N
Risk Codes:	25-48-50
Safety:	22-36/37/39-61
PSA:	90.82000
LogP:	2.93060

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Specification

The IUPAC name of PD 0325901 is N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide. With the CAS registry number 391210-10-9, it is also named as (R)-(-)-N-(2,3-dihydroxy-propoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-benzamide. The product's category is API. In addition, its molecular formula is C₁₆H₁₄F₃IN₂O₄ and molecular weight is 482.19.

The other characteristics of PD 0325901 can be summarized as: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 28180; (6)ACD/BCF (pH 7.4): 28179; (7)ACD/KOC (pH 5.5): 53315; (8)ACD/KOC (pH 7.4): 53315; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 90.82 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 96.178 cm³; (15)Molar Volume: 265.287 cm³; (16)Polarizability: 38.128×10^-24cm³; (17)Surface Tension: 60.812 dyne/cm; (18)Density: 1.818 g/cm³.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(NOC[C@H](O)CO)c1c(c(F)c(F)cc1)Nc2ccc(I)cc2F
(2)InChI: InChI=1/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
(3)InChIKey: SUDAHWBOROXANE-SECBINFHBO
(4)Std. InChI: InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
(5)Std. InChIKey: SUDAHWBOROXANE-SECBINFHSA-N