ChemDiv1_018499
TL;DR: ChemDiv1_018499 (CAS 714930-65-1) is a chemical compound with molecular formula C30H28N2O5 and molecular weight 496.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(3-methoxyphenyl)-7-oxo-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_018499, A2691/0114660, 4-[1-hydroxy-11-(3-methoxyphenyl)-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid, 4-[11-(3-methoxyphenyl)-1-oxo-3-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid, 4-(1-hydroxy-11-(3-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid
| Molecular Formula | C30H28N2O5 |
|---|---|
| Molecular Weight | 496.20 g/mol |
| LogP | 5.4606 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.19983 |
| Heavy Atoms | 37 |
| Complexity | 1381.4838 |
Chemical Identifiers
| CAS Number | 714930-65-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)CCC(=O)O |
Product Overview
ChemDiv1_018499 (CAS 714930-65-1), with molecular formula C30H28N2O5 and molecular weight 496.20 g/mol. IUPAC: 4-[6-(3-methoxyphenyl)-7-oxo-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_018499
Property Insights of ChemDiv1_018499
The XLogP value of 5.4606 indicates that ChemDiv1_018499 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018499. Following Lipinski's Rule of Five, ChemDiv1_018499 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_018499?
The CAS number of ChemDiv1_018499 is 714930-65-1.
What is the molecular formula of ChemDiv1_018499?
The molecular formula of ChemDiv1_018499 is C30H28N2O5.
What is the molecular weight of ChemDiv1_018499?
The molecular weight of ChemDiv1_018499 is 496.20 g/mol.
Where can I buy ChemDiv1_018499?
You can request a quote for ChemDiv1_018499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018499?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.