Dimethyl 3,3'-sulfanediyldi(prop-2-enoate)
TL;DR: Dimethyl 3,3'-sulfanediyldi(prop-2-enoate) (CAS 13830-99-4) is a chemical compound with molecular formula C8H10O4S and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-methoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate
Also Known As: dimethyl 3,3'-sulfanediylbisprop-2-enoate, Dimethyl 3,3'-sulfanediyldi(prop-2-enoate), methyl 3-(3-methoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate, METHYL 3-[(E)-2-METHOXYCARBONYLVINYL]SULFANYLPROP-2-ENOATE
| Molecular Formula | C8H10O4S |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.02998 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 13830-99-4 |
|---|---|
| SMILES | COC(=O)C=CSC=CC(=O)OC |
| InChIKey | HVMQICOARZGTLQ-UHFFFAOYSA-N |
Product Overview
Dimethyl 3,3'-sulfanediyldi(prop-2-enoate) (CAS 13830-99-4), with molecular formula C8H10O4S and molecular weight 202.03 g/mol. IUPAC: methyl 3-(3-methoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate.
Chemical Property Profile of Dimethyl 3,3'-sulfanediyldi(prop-2-enoate)
Property Insights of Dimethyl 3,3'-sulfanediyldi(prop-2-enoate)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3,3'-sulfanediyldi(prop-2-enoate). The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3,3'-sulfanediyldi(prop-2-enoate). Following Lipinski's Rule of Five, Dimethyl 3,3'-sulfanediyldi(prop-2-enoate) 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 3,3'-sulfanediyldi(prop-2-enoate)?
The CAS number of Dimethyl 3,3'-sulfanediyldi(prop-2-enoate) is 13830-99-4.
What is the molecular formula of Dimethyl 3,3'-sulfanediyldi(prop-2-enoate)?
The molecular formula of Dimethyl 3,3'-sulfanediyldi(prop-2-enoate) is C8H10O4S.
What is the molecular weight of Dimethyl 3,3'-sulfanediyldi(prop-2-enoate)?
The molecular weight of Dimethyl 3,3'-sulfanediyldi(prop-2-enoate) is 202.03 g/mol.
Where can I buy Dimethyl 3,3'-sulfanediyldi(prop-2-enoate)?
You can request a quote for Dimethyl 3,3'-sulfanediyldi(prop-2-enoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3,3'-sulfanediyldi(prop-2-enoate)?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3,3'-sulfanediyldi(prop-2-enoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.