BAS 01296131
TL;DR: BAS 01296131 (CAS 330210-12-3) is a chemical compound with molecular formula C27H26N2O3 and molecular weight 426.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01296131, 6-(3-methoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 11-(3-methoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-(3-METHOXYPHENYL)-14-(4-METHOXYPHENYL)-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-12-ONE
| Molecular Formula | C27H26N2O3 |
|---|---|
| Molecular Weight | 426.19 g/mol |
| LogP | 5.6833 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.19434 |
| Heavy Atoms | 32 |
| Complexity | 1183.5156 |
Chemical Identifiers
| CAS Number | 330210-12-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)OC)C(=O)C2 |
Product Overview
BAS 01296131 (CAS 330210-12-3), with molecular formula C27H26N2O3 and molecular weight 426.19 g/mol. IUPAC: 6-(3-methoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01296131
Property Insights of BAS 01296131
The XLogP value of 5.6833 indicates that BAS 01296131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, BAS 01296131 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01296131 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 BAS 01296131?
The CAS number of BAS 01296131 is 330210-12-3.
What is the molecular formula of BAS 01296131?
The molecular formula of BAS 01296131 is C27H26N2O3.
What is the molecular weight of BAS 01296131?
The molecular weight of BAS 01296131 is 426.19 g/mol.
Where can I buy BAS 01296131?
You can request a quote for BAS 01296131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01296131?
Yes, KEHONG BIO provides custom synthesis services for BAS 01296131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.