Carbamic acid, dithioveratryl-, allyl ester
TL;DR: Carbamic acid, dithioveratryl-, allyl ester (CAS 22623-47-8) is a chemical compound with molecular formula C13H17NO2S2 and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl N-[(3,4-dimethoxyphenyl)methyl]carbamodithioate
Also Known As: Dithioveratrylcarbamic acid allyl ester, CARBAMIC ACID, DITHIOVERATRYL-, ALLYL ESTER, Prop-2-en-1-yl [(3,4-dimethoxyphenyl)methyl]carbamodithioate, prop-2-enyl N-[(3,4-dimethoxyphenyl)methyl]carbamodithioate, RefChem:332424
| Molecular Formula | C13H17NO2S2 |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 2.9975 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.07007 |
| Heavy Atoms | 18 |
| Complexity | 421.4523 |
Chemical Identifiers
| CAS Number | 22623-47-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=S)SCC=C)OC |
Product Overview
Carbamic acid, dithioveratryl-, allyl ester (CAS 22623-47-8), with molecular formula C13H17NO2S2 and molecular weight 283.07 g/mol. IUPAC: prop-2-enyl N-[(3,4-dimethoxyphenyl)methyl]carbamodithioate.
Chemical Property Profile of Carbamic acid, dithioveratryl-, allyl ester
Property Insights of Carbamic acid, dithioveratryl-, allyl ester
The XLogP value of 2.9975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, dithioveratryl-, allyl ester. With a topological polar surface area (TPSA) of 30.49 Ų, Carbamic acid, dithioveratryl-, allyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, dithioveratryl-, allyl ester has 1 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 Carbamic acid, dithioveratryl-, allyl ester?
The CAS number of Carbamic acid, dithioveratryl-, allyl ester is 22623-47-8.
What is the molecular formula of Carbamic acid, dithioveratryl-, allyl ester?
The molecular formula of Carbamic acid, dithioveratryl-, allyl ester is C13H17NO2S2.
What is the molecular weight of Carbamic acid, dithioveratryl-, allyl ester?
The molecular weight of Carbamic acid, dithioveratryl-, allyl ester is 283.07 g/mol.
Where can I buy Carbamic acid, dithioveratryl-, allyl ester?
You can request a quote for Carbamic acid, dithioveratryl-, allyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, dithioveratryl-, allyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, dithioveratryl-, allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.