![Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate structure](/static/products/803/80367-77-7.png)
Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate
TL;DR: Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate (CAS 80367-77-7) is a chemical compound with molecular formula C13H14O6S and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (Z)-2-(benzenesulfonylmethyl)but-2-enedioate
Also Known As: dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate, dimethyl (Z)-2-(benzenesulfonylmethyl)but-2-enedioate, AO-013/13686001
| Molecular Formula | C13H14O6S |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 0.7327 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.05112 |
| Heavy Atoms | 20 |
| Complexity | 615.5213 |
Chemical Identifiers
| CAS Number | 80367-77-7 |
|---|---|
| SMILES | COC(=O)/C=C(\CS(=O)(=O)C1=CC=CC=C1)/C(=O)OC |
Product Overview
Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate (CAS 80367-77-7), with molecular formula C13H14O6S and molecular weight 298.05 g/mol. IUPAC: dimethyl (Z)-2-(benzenesulfonylmethyl)but-2-enedioate.
Chemical Property Profile of Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate
Property Insights of Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate
The XLogP value of 0.7327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate. Following Lipinski's Rule of Five, Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate has 0 hydrogen bond donor(s) and 6 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-[(phenylsulfonyl)methyl]-2-butenedioate?
The CAS number of Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate is 80367-77-7.
What is the molecular formula of Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate?
The molecular formula of Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate is C13H14O6S.
What is the molecular weight of Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate?
The molecular weight of Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate is 298.05 g/mol.
Where can I buy Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate?
You can request a quote for Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(phenylsulfonyl)methyl]-2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.