ChemDiv1_017684
TL;DR: ChemDiv1_017684 (CAS 309285-79-8) is a chemical compound with molecular formula C20H17N3O4S3 and molecular weight 459.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(benzenesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: ChemDiv1_017684, N-(2-Furanylmethyl)-2-[[6-[(phenylsulfonyl)amino]-2-benzothiazolyl]thio]acetamide, 2-[[6-(benzenesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide, N-(2-furylmethyl)-2-({6-[(phenylsulfonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide, 2-({6-[(Benzenesulfonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
| Molecular Formula | C20H17N3O4S3 |
|---|---|
| Molecular Weight | 459.04 g/mol |
| LogP | 4.0986 |
| Topological Polar Surface Area | 101.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.03812 |
| Heavy Atoms | 30 |
| Complexity | 1253.2062 |
Chemical Identifiers
| CAS Number | 309285-79-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CO4 |
Product Overview
ChemDiv1_017684 (CAS 309285-79-8), with molecular formula C20H17N3O4S3 and molecular weight 459.04 g/mol. IUPAC: 2-[[6-(benzenesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv1_017684
Property Insights of ChemDiv1_017684
The XLogP value of 4.0986 indicates that ChemDiv1_017684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017684. Following Lipinski's Rule of Five, ChemDiv1_017684 has 2 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 ChemDiv1_017684?
The CAS number of ChemDiv1_017684 is 309285-79-8.
What is the molecular formula of ChemDiv1_017684?
The molecular formula of ChemDiv1_017684 is C20H17N3O4S3.
What is the molecular weight of ChemDiv1_017684?
The molecular weight of ChemDiv1_017684 is 459.04 g/mol.
Where can I buy ChemDiv1_017684?
You can request a quote for ChemDiv1_017684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017684?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.