![N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide structure](/static/products/6076/607697-85-8.webp)
N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
TL;DR: N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 607697-85-8) is a chemical compound with molecular formula C18H14ClN3O3S2 and molecular weight 419.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide, N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide, N-[5-[(2-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide, N-[5-[(2-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
| Molecular Formula | C18H14ClN3O3S2 |
|---|---|
| Molecular Weight | 419.02 g/mol |
| LogP | 4.2623 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.0165 |
| Heavy Atoms | 27 |
| Complexity | 966.2847 |
Chemical Identifiers
| CAS Number | 607697-85-8 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4Cl |
Product Overview
N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 607697-85-8), with molecular formula C18H14ClN3O3S2 and molecular weight 419.02 g/mol. IUPAC: N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Property Insights of N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
The XLogP value of 4.2623 indicates that N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide 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 N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide. Following Lipinski's Rule of Five, N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide has 1 hydrogen bond donor(s) and 7 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 N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The CAS number of N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 607697-85-8.
What is the molecular formula of N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular formula of N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide is C18H14ClN3O3S2.
What is the molecular weight of N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular weight of N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 419.02 g/mol.
Where can I buy N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
You can request a quote for N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.