C17H18ClNO3S
TL;DR: C17H18ClNO3S (CAS 302548-88-5) is a chemical compound with molecular formula C17H18ClNO3S and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-(4-chlorophenyl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: IFLab1_003494, 5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester, ethyl 5-{2-[(4-chlorophenyl)sulfanyl]acetyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate, ethyl 5-[2-(4-chlorophenyl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate, ethyl 5-[2-(p-chlorophenylthio)acetyl]-2,4-dimethyl-3-pyrrolecarboxylate
| Molecular Formula | C17H18ClNO3S |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 4.43664 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.06958 |
| Heavy Atoms | 23 |
| Complexity | 722.1849 |
Chemical Identifiers
| CAS Number | 302548-88-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC=C(C=C2)Cl)C |
Product Overview
C17H18ClNO3S (CAS 302548-88-5), with molecular formula C17H18ClNO3S and molecular weight 351.07 g/mol. IUPAC: ethyl 5-[2-(4-chlorophenyl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of C17H18ClNO3S
Property Insights of C17H18ClNO3S
The XLogP value of 4.43664 indicates that C17H18ClNO3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, C17H18ClNO3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H18ClNO3S 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 C17H18ClNO3S?
The CAS number of C17H18ClNO3S is 302548-88-5.
What is the molecular formula of C17H18ClNO3S?
The molecular formula of C17H18ClNO3S is C17H18ClNO3S.
What is the molecular weight of C17H18ClNO3S?
The molecular weight of C17H18ClNO3S is 351.07 g/mol.
Where can I buy C17H18ClNO3S?
You can request a quote for C17H18ClNO3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H18ClNO3S?
Yes, KEHONG BIO provides custom synthesis services for C17H18ClNO3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.