AB00099893-01
TL;DR: AB00099893-01 (CAS 300674-75-3) is a chemical compound with molecular formula C18H13NO3S2 and molecular weight 355.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00099893-01, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one, (Z)-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxo-3-(o-tolyl)thiazolidin-4-one, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 5-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethylene)-3-(2-methylphenyl)-2-thioxo-1,3- thiazolidin-4-one
| Molecular Formula | C18H13NO3S2 |
|---|---|
| Molecular Weight | 355.03 g/mol |
| LogP | 4.12952 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.0337 |
| Heavy Atoms | 24 |
| Complexity | 891.58264 |
Chemical Identifiers
| CAS Number | 300674-75-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S |
Product Overview
AB00099893-01 (CAS 300674-75-3), with molecular formula C18H13NO3S2 and molecular weight 355.03 g/mol. IUPAC: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00099893-01
Property Insights of AB00099893-01
The XLogP value of 4.12952 indicates that AB00099893-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, AB00099893-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00099893-01 has 0 hydrogen bond donor(s) and 5 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 AB00099893-01?
The CAS number of AB00099893-01 is 300674-75-3.
What is the molecular formula of AB00099893-01?
The molecular formula of AB00099893-01 is C18H13NO3S2.
What is the molecular weight of AB00099893-01?
The molecular weight of AB00099893-01 is 355.03 g/mol.
Where can I buy AB00099893-01?
You can request a quote for AB00099893-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00099893-01?
Yes, KEHONG BIO provides custom synthesis services for AB00099893-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.