CAS No.137863-17-3,N-[2’-(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	137863-17-3
Name:	N-[2’-(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine methyl ester
Article Data:	14

Formula:	C₂₅H₃₁N₅O₃
Molecular Weight:	449.553
Synonyms:	L-Valine, N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-,methyl ester (9CI);N-(1-Oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine Methyl Ester;
EINECS:	1308068-626-2
Density:	1.169 g/cm³
Melting Point:	129-130℃
Boiling Point:	647.716 °C at 760 mmHg
Flash Point:	345.526 °C
PSA:	101.07000
LogP:	4.25010

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Specification

The CAS registry number of L-Valine,N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methylester is 137863-17-3. In addition, the molecular formula is C₂₅H₃₁N₅O₃ and the molecular weight is 449.24. Its systematic name is methyl N-pentanoyl-N-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valinate. What's more, it should be stored in sealed container, and put them in a cool and dry place.

Physical properties about L-Valine,N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methylester are: (1)ACD/LogP: 5.37; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 8; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 101.07 Å²; (7)Index of Refraction: 1.566; (8)Molar Refractivity: 125.465 cm³; (9)Molar Volume: 384.49 cm³; (10)Polarizability: 49.738 ×10^-24cm³; (11)Surface Tension: 49.671 dyne/cm; (12)Density: 1.169 g/cm³; (13)Flash Point: 345.526 °C; (14)Enthalpy of Vaporization: 95.508 kJ/mol; (15)Boiling Point: 647.716 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H](N(C(=O)CCCC)Cc3ccc(c1ccccc1c2nnnn2)cc3)C(C)C
(2)Std. InChI: InChI=1S/C25H31N5O3/c1-5-6-11-22(31)30(23(17(2)3)25(32)33-4)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24-26-28-29-27-24/h7-10,12-15,17,23H,5-6,11,16H2,1-4H3,(H,26,27,28,29)/t23-/m0/s1
(3)Std. InChIKey: UJTNRXYTECQKFO-QHCPKHFHSA-N