BAS 04913813
TL;DR: BAS 04913813 (CAS 442570-07-2) is a chemical compound with molecular formula C27H25N3O2 and molecular weight 423.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 04913813, US8993552, 84, 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone, 10-acetyl-11-(pyridin-3-yl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-ACETYL-3-(4-METHYLPHENYL)-11-(3-PYRIDYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
| Molecular Formula | C27H25N3O2 |
|---|---|
| Molecular Weight | 423.19 g/mol |
| LogP | 5.31052 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.19467 |
| Heavy Atoms | 32 |
| Complexity | 1215.1636 |
Chemical Identifiers
| CAS Number | 442570-07-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C)C5=CN=CC=C5)C(=O)C2 |
Product Overview
BAS 04913813 (CAS 442570-07-2), with molecular formula C27H25N3O2 and molecular weight 423.19 g/mol. IUPAC: 5-acetyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 04913813
Property Insights of BAS 04913813
The XLogP value of 5.31052 indicates that BAS 04913813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04913813. Following Lipinski's Rule of Five, BAS 04913813 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 04913813?
The CAS number of BAS 04913813 is 442570-07-2.
What is the molecular formula of BAS 04913813?
The molecular formula of BAS 04913813 is C27H25N3O2.
What is the molecular weight of BAS 04913813?
The molecular weight of BAS 04913813 is 423.19 g/mol.
Where can I buy BAS 04913813?
You can request a quote for BAS 04913813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913813?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.