A3158/0133603
TL;DR: A3158/0133603 (CAS 524000-71-3) is a chemical compound with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-ethoxy-3-methoxyphenyl)-6-(3-hydroxy-4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: A3158/0133603, 3-(4-ethoxy-3-methoxyphenyl)-11-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(4-ethoxy-3-methoxyphenyl)-6-(3-hydroxy-4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 14-(4-ETHOXY-3-METHOXYPHENYL)-10-(3-HYDROXY-4-METHOXYPHENYL)-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-12-ONE
| Molecular Formula | C29H30N2O5 |
|---|---|
| Molecular Weight | 486.22 g/mol |
| LogP | 5.7876 |
| Topological Polar Surface Area | 89.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.21548 |
| Heavy Atoms | 36 |
| Complexity | 1332.9899 |
Chemical Identifiers
| CAS Number | 524000-71-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5)OC)O)C(=O)C2)OC |
Product Overview
A3158/0133603 (CAS 524000-71-3), with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol. IUPAC: 9-(4-ethoxy-3-methoxyphenyl)-6-(3-hydroxy-4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of A3158/0133603
Property Insights of A3158/0133603
The XLogP value of 5.7876 indicates that A3158/0133603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A3158/0133603. Following Lipinski's Rule of Five, A3158/0133603 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3158/0133603?
The CAS number of A3158/0133603 is 524000-71-3.
What is the molecular formula of A3158/0133603?
The molecular formula of A3158/0133603 is C29H30N2O5.
What is the molecular weight of A3158/0133603?
The molecular weight of A3158/0133603 is 486.22 g/mol.
Where can I buy A3158/0133603?
You can request a quote for A3158/0133603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3158/0133603?
Yes, KEHONG BIO provides custom synthesis services for A3158/0133603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.