Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate
TL;DR: Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate (CAS 488785-25-7) is a chemical compound with molecular formula C13H14O5S and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(benzenesulfinyl)cyclopropane-1,1-dicarboxylate
Also Known As: dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate, dimethyl 2-(benzenesulfinyl)cyclopropane-1,1-dicarboxylate
| Molecular Formula | C13H14O5S |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 0.8989 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.05618 |
| Heavy Atoms | 19 |
| Complexity | 509.09494 |
Chemical Identifiers
| CAS Number | 488785-25-7 |
|---|---|
| SMILES | COC(=O)C1(CC1S(=O)C2=CC=CC=C2)C(=O)OC |
Product Overview
Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate (CAS 488785-25-7), with molecular formula C13H14O5S and molecular weight 282.06 g/mol. IUPAC: dimethyl 2-(benzenesulfinyl)cyclopropane-1,1-dicarboxylate.
Chemical Property Profile of Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate
Property Insights of Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate
The XLogP value of 0.8989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate 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 Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate?
The CAS number of Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate is 488785-25-7.
What is the molecular formula of Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate?
The molecular formula of Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate is C13H14O5S.
What is the molecular weight of Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate?
The molecular weight of Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate is 282.06 g/mol.
Where can I buy Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate?
You can request a quote for Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(phenylsulfinyl)-1,1-cyclopropanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.