Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester
TL;DR: Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester (CAS 63884-89-9) is a chemical compound with molecular formula C12H15NO2S2 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzylsulfanylcarbothioylamino)butanoic acid
Also Known As: Benzyl N-(3-carboxypropyl)dithiocarbamate, Butyric acid, 4-((benzylthio)thiocarbonyl)amino-, 4-(benzylsulfanylcarbothioylamino)butanoic acid, 4-06-00-02699 (Beilstein Handbook Reference), CARBAMIC ACID, (3-CARBOXYPROPYL)DITHIO-, BENZYL ESTER
| Molecular Formula | C12H15NO2S2 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 2.6591 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.0544 |
| Heavy Atoms | 17 |
| Complexity | 368.0282 |
Chemical Identifiers
| CAS Number | 63884-89-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=S)NCCCC(=O)O |
Product Overview
Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester (CAS 63884-89-9), with molecular formula C12H15NO2S2 and molecular weight 269.05 g/mol. IUPAC: 4-(benzylsulfanylcarbothioylamino)butanoic acid.
Chemical Property Profile of Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester
Property Insights of Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester
The XLogP value of 2.6591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester. With a topological polar surface area (TPSA) of 49.33 Ų, Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester has 2 hydrogen bond donor(s) and 3 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, (3-carboxypropyl)dithio-, benzyl ester?
The CAS number of Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester is 63884-89-9.
What is the molecular formula of Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester?
The molecular formula of Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester is C12H15NO2S2.
What is the molecular weight of Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester?
The molecular weight of Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester is 269.05 g/mol.
Where can I buy Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester?
You can request a quote for Carbamic acid, (3-carboxypropyl)dithio-, benzyl 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, (3-carboxypropyl)dithio-, benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.