methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate
TL;DR: methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 714943-19-8) is a chemical compound with molecular formula C13H13Cl2N3O3S and molecular weight 361.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate, methyl [(2Z)-5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-thiadiazol-2(3H)-ylidene]carbamate, methyl N-[5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]carbamate
| Molecular Formula | C13H13Cl2N3O3S |
|---|---|
| Molecular Weight | 361.01 g/mol |
| LogP | 4.0348 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.00546 |
| Heavy Atoms | 22 |
| Complexity | 651.2106 |
Chemical Identifiers
| CAS Number | 714943-19-8 |
|---|---|
| SMILES | COC(=O)NC1=NN=C(S1)CCCOC2=C(C=C(C=C2)Cl)Cl |
Product Overview
methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 714943-19-8), with molecular formula C13H13Cl2N3O3S and molecular weight 361.01 g/mol. IUPAC: methyl N-[5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate
Property Insights of methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate
The XLogP value of 4.0348 indicates that methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate. Following Lipinski's Rule of Five, methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate 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 methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate?
The CAS number of methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate is 714943-19-8.
What is the molecular formula of methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular formula of methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate is C13H13Cl2N3O3S.
What is the molecular weight of methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular weight of methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate is 361.01 g/mol.
Where can I buy methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate?
You can request a quote for methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl (5-(3-(2,4-dichlorophenoxy)propyl)-1,3,4-thiadiazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.