C15H20ClNO3S
TL;DR: C15H20ClNO3S (CAS 314244-45-6) is a chemical compound with molecular formula C15H20ClNO3S and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-chloropropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-(3-chloropropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, UPCMLD0ENAT0513-5697:001, ethyl 2-(3-chloropropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ETHYL 2-(3-CHLOROPROPANAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, 4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID, 2-[(3-CHLORO-1-OXOPROPYL)AMINO]-5,6,7,8-TETRAHYDRO-, ETHYL ESTER
| Molecular Formula | C15H20ClNO3S |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 3.7611 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.08524 |
| Heavy Atoms | 21 |
| Complexity | 527.2336 |
Chemical Identifiers
| CAS Number | 314244-45-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCCl |
Product Overview
C15H20ClNO3S (CAS 314244-45-6), with molecular formula C15H20ClNO3S and molecular weight 329.09 g/mol. IUPAC: ethyl 2-(3-chloropropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of C15H20ClNO3S
Property Insights of C15H20ClNO3S
The XLogP value of 3.7611 indicates that C15H20ClNO3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, C15H20ClNO3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H20ClNO3S 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 C15H20ClNO3S?
The CAS number of C15H20ClNO3S is 314244-45-6.
What is the molecular formula of C15H20ClNO3S?
The molecular formula of C15H20ClNO3S is C15H20ClNO3S.
What is the molecular weight of C15H20ClNO3S?
The molecular weight of C15H20ClNO3S is 329.09 g/mol.
Where can I buy C15H20ClNO3S?
You can request a quote for C15H20ClNO3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H20ClNO3S?
Yes, KEHONG BIO provides custom synthesis services for C15H20ClNO3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.