AB00091138-01
TL;DR: AB00091138-01 (CAS 418803-30-2) is a chemical compound with molecular formula C25H29N3O2 and molecular weight 403.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-[4-(dimethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: AB00091138-01, 10-acetyl-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-acetyl-6-(4-dimethylaminophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 10-acetyl-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-1-oxo-2,3,4-trihydro-5H,11 H-benzo[b]benzo[2,1-f]1,4-diazepine, 5-acetyl-6-[4-(dimethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C25H29N3O2 |
|---|---|
| Molecular Weight | 403.23 g/mol |
| LogP | 4.9155 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.22598 |
| Heavy Atoms | 30 |
| Complexity | 1034.6141 |
Chemical Identifiers
| CAS Number | 418803-30-2 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)N(C)C |
Product Overview
AB00091138-01 (CAS 418803-30-2), with molecular formula C25H29N3O2 and molecular weight 403.23 g/mol. IUPAC: 5-acetyl-6-[4-(dimethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AB00091138-01
Property Insights of AB00091138-01
The XLogP value of 4.9155 indicates that AB00091138-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, AB00091138-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00091138-01 has 1 hydrogen bond donor(s) and 4 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 AB00091138-01?
The CAS number of AB00091138-01 is 418803-30-2.
What is the molecular formula of AB00091138-01?
The molecular formula of AB00091138-01 is C25H29N3O2.
What is the molecular weight of AB00091138-01?
The molecular weight of AB00091138-01 is 403.23 g/mol.
Where can I buy AB00091138-01?
You can request a quote for AB00091138-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00091138-01?
Yes, KEHONG BIO provides custom synthesis services for AB00091138-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.