BAS 09588437
TL;DR: BAS 09588437 (CAS 599150-81-9) 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-(2-hydroxy-3-methoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 09588437, A3224/0136798, 11-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(2-hydroxy-3-methoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C27H26N2O3 |
|---|---|
| Molecular Weight | 426.19 g/mol |
| LogP | 5.68872 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.19434 |
| Heavy Atoms | 32 |
| Complexity | 1213.826 |
Chemical Identifiers
| CAS Number | 599150-81-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=C(C(=CC=C5)OC)O)C(=O)C2 |
Product Overview
BAS 09588437 (CAS 599150-81-9), with molecular formula C27H26N2O3 and molecular weight 426.19 g/mol. IUPAC: 6-(2-hydroxy-3-methoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 09588437
Property Insights of BAS 09588437
The XLogP value of 5.68872 indicates that BAS 09588437 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09588437. Following Lipinski's Rule of Five, BAS 09588437 has 3 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 09588437?
The CAS number of BAS 09588437 is 599150-81-9.
What is the molecular formula of BAS 09588437?
The molecular formula of BAS 09588437 is C27H26N2O3.
What is the molecular weight of BAS 09588437?
The molecular weight of BAS 09588437 is 426.19 g/mol.
Where can I buy BAS 09588437?
You can request a quote for BAS 09588437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09588437?
Yes, KEHONG BIO provides custom synthesis services for BAS 09588437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.