AB00104396-01
TL;DR: AB00104396-01 (CAS 6216-13-3) is a chemical compound with molecular formula C17H12N2O6S3 and molecular weight 435.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate
Also Known As: AB00104396-01, [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate, 4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methyl-3-nitrobenzenesulfonate, 4-[(Z)-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate
| Molecular Formula | C17H12N2O6S3 |
|---|---|
| Molecular Weight | 435.99 g/mol |
| LogP | 3.15972 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.98575 |
| Heavy Atoms | 28 |
| Complexity | 1124.0818 |
Chemical Identifiers
| CAS Number | 6216-13-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)NC(=S)S3)[N+](=O)[O-] |
Product Overview
AB00104396-01 (CAS 6216-13-3), with molecular formula C17H12N2O6S3 and molecular weight 435.99 g/mol. IUPAC: [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate.
Chemical Property Profile of AB00104396-01
Property Insights of AB00104396-01
The XLogP value of 3.15972 indicates that AB00104396-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00104396-01. Following Lipinski's Rule of Five, AB00104396-01 has 1 hydrogen bond donor(s) and 8 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 AB00104396-01?
The CAS number of AB00104396-01 is 6216-13-3.
What is the molecular formula of AB00104396-01?
The molecular formula of AB00104396-01 is C17H12N2O6S3.
What is the molecular weight of AB00104396-01?
The molecular weight of AB00104396-01 is 435.99 g/mol.
Where can I buy AB00104396-01?
You can request a quote for AB00104396-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00104396-01?
Yes, KEHONG BIO provides custom synthesis services for AB00104396-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.