AB00105096-01
TL;DR: AB00105096-01 (CAS 374608-25-0) is a chemical compound with molecular formula C23H16N2O7S2 and molecular weight 496.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 3-nitrobenzoate
Also Known As: AB00105096-01, (Z)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 3-nitrobenzoate, [4-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 3-nitrobenzoate, 4-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 3-nitrobenzoate
| Molecular Formula | C23H16N2O7S2 |
|---|---|
| Molecular Weight | 496.04 g/mol |
| LogP | 4.817 |
| Topological Polar Surface Area | 112.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.0399 |
| Heavy Atoms | 34 |
| Complexity | 1318.6127 |
Chemical Identifiers
| CAS Number | 374608-25-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CC3=CC=CO3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
AB00105096-01 (CAS 374608-25-0), with molecular formula C23H16N2O7S2 and molecular weight 496.04 g/mol. IUPAC: [4-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 3-nitrobenzoate.
Chemical Property Profile of AB00105096-01
Property Insights of AB00105096-01
The XLogP value of 4.817 indicates that AB00105096-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105096-01. Following Lipinski's Rule of Five, AB00105096-01 has 0 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 AB00105096-01?
The CAS number of AB00105096-01 is 374608-25-0.
What is the molecular formula of AB00105096-01?
The molecular formula of AB00105096-01 is C23H16N2O7S2.
What is the molecular weight of AB00105096-01?
The molecular weight of AB00105096-01 is 496.04 g/mol.
Where can I buy AB00105096-01?
You can request a quote for AB00105096-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105096-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105096-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.