CDS1_003510
TL;DR: CDS1_003510 (CAS 299957-80-5) is a chemical compound with molecular formula C17H12N2O7S3 and molecular weight 451.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate
Also Known As: CDS1_003510, BIM-0011025.P001, [2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate, [2-methoxy-4-[(E)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate, 2-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-nitrobenzenesulfonate
| Molecular Formula | C17H12N2O7S3 |
|---|---|
| Molecular Weight | 451.98 g/mol |
| LogP | 2.8599 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.98065 |
| Heavy Atoms | 29 |
| Complexity | 1159.3666 |
Chemical Identifiers
| CAS Number | 299957-80-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)S2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
CDS1_003510 (CAS 299957-80-5), with molecular formula C17H12N2O7S3 and molecular weight 451.98 g/mol. IUPAC: [2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate.
Chemical Property Profile of CDS1_003510
Property Insights of CDS1_003510
The XLogP value of 2.8599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CDS1_003510. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_003510. Following Lipinski's Rule of Five, CDS1_003510 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 CDS1_003510?
The CAS number of CDS1_003510 is 299957-80-5.
What is the molecular formula of CDS1_003510?
The molecular formula of CDS1_003510 is C17H12N2O7S3.
What is the molecular weight of CDS1_003510?
The molecular weight of CDS1_003510 is 451.98 g/mol.
Where can I buy CDS1_003510?
You can request a quote for CDS1_003510 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003510?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.