![ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate structure](/static/products/3039/303987-52-2.webp)
ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate
TL;DR: ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate (CAS 303987-52-2) is a chemical compound with molecular formula C13H14ClNO3S and molecular weight 299.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(7-chloro-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate
Also Known As: ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate, ethyl 2-(7-chloro-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate, ethyl 2-(7-chloro-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetate, ethyl2-(7-chloro-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetate
| Molecular Formula | C13H14ClNO3S |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 2.7319 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0383 |
| Heavy Atoms | 19 |
| Complexity | 506.66174 |
Chemical Identifiers
| CAS Number | 303987-52-2 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)CCSC2=C1C=C(C=C2)Cl |
Product Overview
ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate (CAS 303987-52-2), with molecular formula C13H14ClNO3S and molecular weight 299.04 g/mol. IUPAC: ethyl 2-(7-chloro-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate.
Chemical Property Profile of ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate
Property Insights of ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate
The XLogP value of 2.7319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate. With a topological polar surface area (TPSA) of 46.61 Ų, ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate has 0 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 ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate?
The CAS number of ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate is 303987-52-2.
What is the molecular formula of ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate?
The molecular formula of ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate is C13H14ClNO3S.
What is the molecular weight of ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate?
The molecular weight of ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate is 299.04 g/mol.
Where can I buy ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate?
You can request a quote for ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[7-chloro-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.