BAS 12534617
TL;DR: BAS 12534617 (CAS 876668-22-3) is a chemical compound with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 12534617, 3-(3,4-dimethoxyphenyl)-11-methyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(3,4-dimethoxyphenyl)-11-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 9-(3,4-dimethoxyphenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 3-(3,4-dimethoxyphenyl)-11-methyl-2,3,4-trihydro-5H-benzo[b]benzo[2,1-f]1,4-di azepin-1-one
| Molecular Formula | C22H22N2O3 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 4.6225 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.16306 |
| Heavy Atoms | 27 |
| Complexity | 975.27325 |
Chemical Identifiers
| CAS Number | 876668-22-3 |
|---|---|
| SMILES | CC1=C2C(=NC3=CC=CC=C3N1)CC(CC2=O)C4=CC(=C(C=C4)OC)OC |
Product Overview
BAS 12534617 (CAS 876668-22-3), with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 12534617
Property Insights of BAS 12534617
The XLogP value of 4.6225 indicates that BAS 12534617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, BAS 12534617 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 12534617 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 12534617?
The CAS number of BAS 12534617 is 876668-22-3.
What is the molecular formula of BAS 12534617?
The molecular formula of BAS 12534617 is C22H22N2O3.
What is the molecular weight of BAS 12534617?
The molecular weight of BAS 12534617 is 362.16 g/mol.
Where can I buy BAS 12534617?
You can request a quote for BAS 12534617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534617?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.