BAS 13120387
TL;DR: BAS 13120387 (CAS 674808-05-0) is a chemical compound with molecular formula C31H30N2O4 and molecular weight 494.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6,9-bis(4-methylphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
Also Known As: BAS 13120387, 4-[1-hydroxy-3,11-bis(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid, 4-oxo-4-[7-oxo-6,9-bis(p-tolyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]butanoic acid, 4-[3,11-bis(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid, 4-(1-hydroxy-3,11-di-p-tolyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid
| Molecular Formula | C31H30N2O4 |
|---|---|
| Molecular Weight | 494.22 g/mol |
| LogP | 6.06884 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.22055 |
| Heavy Atoms | 37 |
| Complexity | 1389.4652 |
Chemical Identifiers
| CAS Number | 674808-05-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC=C(C=C5)C)C(=O)C2 |
Product Overview
BAS 13120387 (CAS 674808-05-0), with molecular formula C31H30N2O4 and molecular weight 494.22 g/mol. IUPAC: 4-[6,9-bis(4-methylphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid.
Chemical Property Profile of BAS 13120387
Property Insights of BAS 13120387
The XLogP value of 6.06884 indicates that BAS 13120387 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13120387. Following Lipinski's Rule of Five, BAS 13120387 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13120387?
The CAS number of BAS 13120387 is 674808-05-0.
What is the molecular formula of BAS 13120387?
The molecular formula of BAS 13120387 is C31H30N2O4.
What is the molecular weight of BAS 13120387?
The molecular weight of BAS 13120387 is 494.22 g/mol.
Where can I buy BAS 13120387?
You can request a quote for BAS 13120387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13120387?
Yes, KEHONG BIO provides custom synthesis services for BAS 13120387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.