C14H18ClNO3S
TL;DR: C14H18ClNO3S (CAS 319906-50-8) is a chemical compound with molecular formula C14H18ClNO3S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ART-CHEM-BB B006575, 3-chlorobenzo[b]thiophene-2-carbaldehyde, ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, UPCMLD0ENAT0513-7211:001
| Molecular Formula | C14H18ClNO3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.371 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.06958 |
| Heavy Atoms | 20 |
| Complexity | 512.76245 |
Chemical Identifiers
| CAS Number | 319906-50-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCl |
Product Overview
C14H18ClNO3S (CAS 319906-50-8), with molecular formula C14H18ClNO3S and molecular weight 315.07 g/mol. IUPAC: ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of C14H18ClNO3S
Property Insights of C14H18ClNO3S
The XLogP value of 3.371 indicates that C14H18ClNO3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, C14H18ClNO3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H18ClNO3S 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 C14H18ClNO3S?
The CAS number of C14H18ClNO3S is 319906-50-8.
What is the molecular formula of C14H18ClNO3S?
The molecular formula of C14H18ClNO3S is C14H18ClNO3S.
What is the molecular weight of C14H18ClNO3S?
The molecular weight of C14H18ClNO3S is 315.07 g/mol.
Where can I buy C14H18ClNO3S?
You can request a quote for C14H18ClNO3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H18ClNO3S?
Yes, KEHONG BIO provides custom synthesis services for C14H18ClNO3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.