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Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate
TL;DR: Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate (CAS 251097-79-7) is a chemical compound with molecular formula C13H16ClNO4S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
Also Known As: 10G-900, methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate, methyl 4-chloro-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate, methyl 4-chloro-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylate
| Molecular Formula | C13H16ClNO4S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 1.53842 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.04886 |
| Heavy Atoms | 20 |
| Complexity | 599.3021 |
Chemical Identifiers
| CAS Number | 251097-79-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)Cl |
Product Overview
Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate (CAS 251097-79-7), with molecular formula C13H16ClNO4S and molecular weight 317.05 g/mol. IUPAC: methyl 4-chloro-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate.
Chemical Property Profile of Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate
Property Insights of Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate
The XLogP value of 1.53842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate. Following Lipinski's Rule of Five, Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate 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 Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate?
The CAS number of Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate is 251097-79-7.
What is the molecular formula of Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate?
The molecular formula of Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate is C13H16ClNO4S.
What is the molecular weight of Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate?
The molecular weight of Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate is 317.05 g/mol.
Where can I buy Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate?
You can request a quote for Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.