3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester
TL;DR: 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester (CAS 175201-99-7) is a chemical compound with molecular formula C9H11ClO4S2 and molecular weight 281.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxylate
Also Known As: 2-Propylvaleraldehyde, Maybridge1_004601, methyl 3-chloro-4-(isopropylsulfonyl)thiophene-2-carboxylate, methyl 3-chloro-4-(propane-2-sulfonyl)thiophene-2-carboxylate, methyl 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxylate
| Molecular Formula | C9H11ClO4S2 |
|---|---|
| Molecular Weight | 281.98 g/mol |
| LogP | 2.3702 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.97873 |
| Heavy Atoms | 16 |
| Complexity | 501.5787 |
Chemical Identifiers
| CAS Number | 175201-99-7 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CSC(=C1Cl)C(=O)OC |
Product Overview
3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester (CAS 175201-99-7), with molecular formula C9H11ClO4S2 and molecular weight 281.98 g/mol. IUPAC: methyl 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxylate.
Chemical Property Profile of 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester
Property Insights of 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester
The XLogP value of 2.3702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester has 0 hydrogen bond donor(s) and 5 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 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester?
The CAS number of 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester is 175201-99-7.
What is the molecular formula of 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester?
The molecular formula of 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester is C9H11ClO4S2.
What is the molecular weight of 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester?
The molecular weight of 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester is 281.98 g/mol.
Where can I buy 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester?
You can request a quote for 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.