Bas 09588626
TL;DR: Bas 09588626 (CAS 89813-62-7) is a chemical compound with molecular formula C18H19NO4S and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Also Known As: BAS 09588626, 2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, 2-(3,4,5-Trimethoxy-phenyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one, 2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one, A2927/0123164
| Molecular Formula | C18H19NO4S |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.1035 |
| Heavy Atoms | 24 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 89813-62-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2CC(=O)NC3=CC=CC=C3S2 |
| InChIKey | KYEZPKHKPRZCNL-UHFFFAOYSA-N |
Product Overview
Bas 09588626 (CAS 89813-62-7), with molecular formula C18H19NO4S and molecular weight 345.10 g/mol. IUPAC: 2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
Chemical Property Profile of Bas 09588626
Property Insights of Bas 09588626
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bas 09588626. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bas 09588626. Following Lipinski's Rule of Five, Bas 09588626 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 09588626?
The CAS number of Bas 09588626 is 89813-62-7.
What is the molecular formula of Bas 09588626?
The molecular formula of Bas 09588626 is C18H19NO4S.
What is the molecular weight of Bas 09588626?
The molecular weight of Bas 09588626 is 345.10 g/mol.
Where can I buy Bas 09588626?
You can request a quote for Bas 09588626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bas 09588626?
Yes, KEHONG BIO provides custom synthesis services for Bas 09588626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.