A3161/0133727
TL;DR: A3161/0133727 (CAS 524001-75-0) is a chemical compound with molecular formula C28H26N2O4 and molecular weight 454.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[9-(3-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate
Also Known As: A3161/0133727, methyl 4-[3-(3-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, methyl 4-(3-(3-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, methyl 4-[9-(3-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate
| Molecular Formula | C28H26N2O4 |
|---|---|
| Molecular Weight | 454.19 g/mol |
| LogP | 5.4613 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.18927 |
| Heavy Atoms | 34 |
| Complexity | 1279.5735 |
Chemical Identifiers
| CAS Number | 524001-75-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(=O)OC)C(=O)C2 |
Product Overview
A3161/0133727 (CAS 524001-75-0), with molecular formula C28H26N2O4 and molecular weight 454.19 g/mol. IUPAC: methyl 4-[9-(3-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate.
Chemical Property Profile of A3161/0133727
Property Insights of A3161/0133727
The XLogP value of 5.4613 indicates that A3161/0133727 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for A3161/0133727. Following Lipinski's Rule of Five, A3161/0133727 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3161/0133727?
The CAS number of A3161/0133727 is 524001-75-0.
What is the molecular formula of A3161/0133727?
The molecular formula of A3161/0133727 is C28H26N2O4.
What is the molecular weight of A3161/0133727?
The molecular weight of A3161/0133727 is 454.19 g/mol.
Where can I buy A3161/0133727?
You can request a quote for A3161/0133727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3161/0133727?
Yes, KEHONG BIO provides custom synthesis services for A3161/0133727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.