BAS 05289828
TL;DR: BAS 05289828 (CAS 498570-79-9) is a chemical compound with molecular formula C24H26N2O3 and molecular weight 390.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl)phenyl] propanoate
Also Known As: BAS 05289828, 4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl propanoate, [4-(9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl)phenyl] propanoate, 4-(1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl propanoate, 4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl propionate
| Molecular Formula | C24H26N2O3 |
|---|---|
| Molecular Weight | 390.19 g/mol |
| LogP | 5.2239 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.19434 |
| Heavy Atoms | 29 |
| Complexity | 989.4403 |
Chemical Identifiers
| CAS Number | 498570-79-9 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2 |
Product Overview
BAS 05289828 (CAS 498570-79-9), with molecular formula C24H26N2O3 and molecular weight 390.19 g/mol. IUPAC: [4-(9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl)phenyl] propanoate.
Chemical Property Profile of BAS 05289828
Property Insights of BAS 05289828
The XLogP value of 5.2239 indicates that BAS 05289828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05289828. Following Lipinski's Rule of Five, BAS 05289828 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 05289828?
The CAS number of BAS 05289828 is 498570-79-9.
What is the molecular formula of BAS 05289828?
The molecular formula of BAS 05289828 is C24H26N2O3.
What is the molecular weight of BAS 05289828?
The molecular weight of BAS 05289828 is 390.19 g/mol.
Where can I buy BAS 05289828?
You can request a quote for BAS 05289828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05289828?
Yes, KEHONG BIO provides custom synthesis services for BAS 05289828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.