3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester
TL;DR: 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester (CAS 61888-73-1) is a chemical compound with molecular formula C16H15ClO5S and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-chlorophenyl)-5-methylsulfonyloxyphenyl]acetate
Also Known As: 3-BIPHENYLACETIC ACID, 4'-CHLORO-5-METHYLSULFONYLOXY-, METHYL ESTER, 4'-Chloro-5-methylsulfonyloxy-3-biphenylacetic acid methyl ester, Methyl {4'-chloro-5-[(methylsulfonyl)oxy]-3-biphenylyl}acetate, methyl 2-[3-(4-chlorophenyl)-5-methylsulfonyloxyphenyl]acetate, 4'-Chloro-5-methylsulfonyloxy-3-biphenylaceticacid,methylester
| Molecular Formula | C16H15ClO5S |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.03287 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 61888-73-1 |
|---|---|
| SMILES | COC(=O)CC1=CC(=CC(=C1)OS(=O)(=O)C)C2=CC=C(C=C2)Cl |
| InChIKey | OXRBXLIOKMPFCU-UHFFFAOYSA-N |
Product Overview
3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester (CAS 61888-73-1), with molecular formula C16H15ClO5S and molecular weight 354.03 g/mol. IUPAC: methyl 2-[3-(4-chlorophenyl)-5-methylsulfonyloxyphenyl]acetate.
Chemical Property Profile of 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester
Property Insights of 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester
The XLogP value of 3.5 indicates that 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester. Following Lipinski's Rule of Five, 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, 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-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester?
The CAS number of 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester is 61888-73-1.
What is the molecular formula of 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester?
The molecular formula of 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester is C16H15ClO5S.
What is the molecular weight of 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester?
The molecular weight of 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester is 354.03 g/mol.
Where can I buy 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester?
You can request a quote for 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, 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-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.