Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester
TL;DR: Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester (CAS 138474-86-9) is a chemical compound with molecular formula C17H29N3O4S3 and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(1-propylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methyl N-[5-(2-methylsulfanylethyl)-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester, [2-methyl-2-(1-propylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methyl N-[5-(2-methylsulfanylethyl)-1,3,4-thiadiazol-2-yl]carbamate, {2-Methyl-2-[1-(propylsulfanyl)propan-2-yl]-1,3-dioxolan-4-yl}methyl {5-[2-(methylsulfanyl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene}carbamate, {2-methyl-2-[1-(propylsulfanyl)propan-2-yl]-1,3-dioxolan-4-yl}methyl N-{5-[2-(methylsulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}carbamate, N-[5-(2-Methylthioethyl)-1,3,4-thiadiazol-2-yl]carbamic acid [2-methyl-2-(1-methyl-2-propylthioethyl)-1,3-dioxolan-4-yl]methyl ester
| Molecular Formula | C17H29N3O4S3 |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 3.903 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 435.13202 |
| Heavy Atoms | 27 |
| Complexity | 589.5248 |
Chemical Identifiers
| CAS Number | 138474-86-9 |
|---|---|
| SMILES | CCCSCC(C)C1(OCC(O1)COC(=O)NC2=NN=C(S2)CCSC)C |
Product Overview
Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester (CAS 138474-86-9), with molecular formula C17H29N3O4S3 and molecular weight 435.13 g/mol. IUPAC: [2-methyl-2-(1-propylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methyl N-[5-(2-methylsulfanylethyl)-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester
Property Insights of Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester
The XLogP value of 3.903 indicates that Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester. Following Lipinski's Rule of Five, Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester has 1 hydrogen bond donor(s) and 9 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, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester?
The CAS number of Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester is 138474-86-9.
What is the molecular formula of Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester?
The molecular formula of Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester is C17H29N3O4S3.
What is the molecular weight of Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester?
The molecular weight of Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester is 435.13 g/mol.
Where can I buy Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester?
You can request a quote for Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl 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, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (5-(2-(methylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.