BAS 00405111
TL;DR: BAS 00405111 (CAS 306732-80-9) 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-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00405111, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one, 5-Benzo[1,3]dioxol-5-ylmethylene-2-thioxo-3-p-tolyl-thiazolidin-4-one, (Z)-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxo-3-(p-tolyl)thiazolidin-4-one, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylidene-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 | 874.33264 |
Chemical Identifiers
| CAS Number | 306732-80-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S |
Product Overview
BAS 00405111 (CAS 306732-80-9), with molecular formula C18H13NO3S2 and molecular weight 355.03 g/mol. IUPAC: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00405111
Property Insights of BAS 00405111
The XLogP value of 4.12952 indicates that BAS 00405111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, BAS 00405111 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00405111 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 BAS 00405111?
The CAS number of BAS 00405111 is 306732-80-9.
What is the molecular formula of BAS 00405111?
The molecular formula of BAS 00405111 is C18H13NO3S2.
What is the molecular weight of BAS 00405111?
The molecular weight of BAS 00405111 is 355.03 g/mol.
Where can I buy BAS 00405111?
You can request a quote for BAS 00405111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00405111?
Yes, KEHONG BIO provides custom synthesis services for BAS 00405111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.