2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide
TL;DR: 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide (CAS 863452-63-5) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
Also Known As: 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide, 2-(3,4-dimethoxyphenyl)-1,1-dioxo-3,5-dihydro-2H-1, 2-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydro-1lambda6,5-benzothiazepine-1,1,4-trione, 2-(3,4-dimethoxyphenyl)-1,1-dioxo-3,5-dihydro-2H-1lambda6,5-benzothiazepin-4-one, 2-(3,4-dimethoxyphenyl)-1,1-bis(oxidanylidene)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.561 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 891.60394 |
Chemical Identifiers
| CAS Number | 863452-63-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(=O)NC3=CC=CC=C3S2(=O)=O)OC |
Product Overview
2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide (CAS 863452-63-5), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one.
Chemical Property Profile of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide
Property Insights of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide
The XLogP value of 2.561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide 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 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide?
The CAS number of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide is 863452-63-5.
What is the molecular formula of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide?
The molecular formula of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide is C17H17NO5S.
What is the molecular weight of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide?
The molecular weight of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide is 347.08 g/mol.
Where can I buy 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide?
You can request a quote for 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.