![Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate structure](/static/products/123/123200-71-5.png)
Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate
TL;DR: Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate (CAS 123200-71-5) is a chemical compound with molecular formula C11H12Cl2O4S and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-(dichloromethylsulfonyl)propanoate
Also Known As: BAS 00210659, benzyl 3-(dichloromethylsulfonyl)propanoate, benzyl beta-dichloromethylsulfonylpropionate, BENZYL 3-DICHLOROMETHANESULFONYLPROPANOATE, 3-(Dichloro-methanesulfonyl)-propionic acid benzyl ester
| Molecular Formula | C11H12Cl2O4S |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | 2.2959 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.98334 |
| Heavy Atoms | 18 |
| Complexity | 485.0245 |
Chemical Identifiers
| CAS Number | 123200-71-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCS(=O)(=O)C(Cl)Cl |
Product Overview
Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate (CAS 123200-71-5), with molecular formula C11H12Cl2O4S and molecular weight 309.98 g/mol. IUPAC: benzyl 3-(dichloromethylsulfonyl)propanoate.
Chemical Property Profile of Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate
Property Insights of Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate
The XLogP value of 2.2959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate. Following Lipinski's Rule of Five, Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate 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 Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate?
The CAS number of Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate is 123200-71-5.
What is the molecular formula of Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate?
The molecular formula of Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate is C11H12Cl2O4S.
What is the molecular weight of Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate?
The molecular weight of Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate is 309.98 g/mol.
Where can I buy Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate?
You can request a quote for Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyl 3-[(dichloromethyl)sulfonyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.