Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate
TL;DR: Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate (CAS 86628-24-2) is a chemical compound with molecular formula C12H12ClNO3S and molecular weight 285.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(7-chloro-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate
Also Known As: Methyl 2,3,4,5-tetrahydro-7-chloro-5-oxo-1,4-benzothiazepine-2-acetate, 1,4-Benzothiazepine-2-acetic acid, 2,3,4,5-tetrahydro-7-chloro-5-oxo-, methyl ester, Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate, methyl 2-(7-chloro-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate, RefChem:1089212
| Molecular Formula | C12H12ClNO3S |
|---|---|
| Molecular Weight | 285.02 g/mol |
| LogP | 2.1072 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.02264 |
| Heavy Atoms | 18 |
| Complexity | 492.2109 |
Chemical Identifiers
| CAS Number | 86628-24-2 |
|---|---|
| SMILES | COC(=O)CC1CNC(=O)C2=C(S1)C=CC(=C2)Cl |
Product Overview
Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate (CAS 86628-24-2), with molecular formula C12H12ClNO3S and molecular weight 285.02 g/mol. IUPAC: methyl 2-(7-chloro-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate.
Chemical Property Profile of Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate
Property Insights of Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate
The XLogP value of 2.1072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate 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 Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate?
The CAS number of Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate is 86628-24-2.
What is the molecular formula of Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate?
The molecular formula of Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate is C12H12ClNO3S.
What is the molecular weight of Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate?
The molecular weight of Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate is 285.02 g/mol.
Where can I buy Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate?
You can request a quote for Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (7-chloro-5-hydroxy-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.