7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
TL;DR: 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 303987-53-3) is a chemical compound with molecular formula C12H10ClNOS and molecular weight 251.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-prop-2-ynyl-2,3-dihydro-1,5-benzothiazepin-4-one
Also Known As: 11N-334S, 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, 7-chloro-5-prop-2-ynyl-2,3-dihydro-1,5-benzothiazepin-4-one, 7-chloro-5-(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one, 7-chloro-5-(prop-2-yn-1-yl)-2,3-dihydro-1,5-benzothiazepin-4-one
| Molecular Formula | C12H10ClNOS |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | 2.802 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.01717 |
| Heavy Atoms | 16 |
| Complexity | 466.57684 |
Chemical Identifiers
| CAS Number | 303987-53-3 |
|---|---|
| SMILES | C#CCN1C(=O)CCSC2=C1C=C(C=C2)Cl |
Product Overview
7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 303987-53-3), with molecular formula C12H10ClNOS and molecular weight 251.02 g/mol. IUPAC: 7-chloro-5-prop-2-ynyl-2,3-dihydro-1,5-benzothiazepin-4-one.
Chemical Property Profile of 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Property Insights of 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
The XLogP value of 2.802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one. With a topological polar surface area (TPSA) of 20.31 Ų, 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one has 0 hydrogen bond donor(s) and 2 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 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The CAS number of 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 303987-53-3.
What is the molecular formula of 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular formula of 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is C12H10ClNOS.
What is the molecular weight of 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular weight of 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 251.02 g/mol.
Where can I buy 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
You can request a quote for 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-5-(2-propynyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.