Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester
TL;DR: Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester (CAS 22623-49-0) is a chemical compound with molecular formula C13H17NO4S2 and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3,4-dimethoxyphenyl)methylcarbamothioylsulfanylformate
Also Known As: Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester, Thiocarbonic acid anhydrosulfide with dithioveratrylcarbamic acid ethyl ester, ethyl (3,4-dimethoxyphenyl)methylcarbamothioylsulfanylformat, ethyl (3,4-dimethoxyphenyl)methylcarbamothioylsulfanylformate, RefChem:333442
| Molecular Formula | C13H17NO4S2 |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 2.968 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.0599 |
| Heavy Atoms | 20 |
| Complexity | 479.439 |
Chemical Identifiers
| CAS Number | 22623-49-0 |
|---|---|
| SMILES | CCOC(=O)SC(=S)NCC1=CC(=C(C=C1)OC)OC |
Product Overview
Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester (CAS 22623-49-0), with molecular formula C13H17NO4S2 and molecular weight 315.06 g/mol. IUPAC: ethyl (3,4-dimethoxyphenyl)methylcarbamothioylsulfanylformate.
Chemical Property Profile of Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester
Property Insights of Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester
The XLogP value of 2.968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester. With a topological polar surface area (TPSA) of 56.79 Ų, Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester has 1 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 Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester?
The CAS number of Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester is 22623-49-0.
What is the molecular formula of Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester?
The molecular formula of Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester is C13H17NO4S2.
What is the molecular weight of Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester?
The molecular weight of Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester is 315.06 g/mol.
Where can I buy Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester?
You can request a quote for Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, thio-, anhydrosulfide with dithioveratrylcarbamic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.