AB00105185-01
TL;DR: AB00105185-01 (CAS 347381-16-2) is a chemical compound with molecular formula C19H18N2O4S and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate
Also Known As: AB00105185-01, (Z)-methyl 3-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoate, methyl 3-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate, methyl 3-{3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoate, methyl 3-{3-[(Z)-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoate
| Molecular Formula | C19H18N2O4S |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 3.51306 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.09872 |
| Heavy Atoms | 26 |
| Complexity | 972.159 |
Chemical Identifiers
| CAS Number | 347381-16-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)/C=C\3/C(=O)NC(=O)S3 |
Product Overview
AB00105185-01 (CAS 347381-16-2), with molecular formula C19H18N2O4S and molecular weight 370.10 g/mol. IUPAC: methyl 3-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate.
Chemical Property Profile of AB00105185-01
Property Insights of AB00105185-01
The XLogP value of 3.51306 indicates that AB00105185-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105185-01. Following Lipinski's Rule of Five, AB00105185-01 has 1 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 AB00105185-01?
The CAS number of AB00105185-01 is 347381-16-2.
What is the molecular formula of AB00105185-01?
The molecular formula of AB00105185-01 is C19H18N2O4S.
What is the molecular weight of AB00105185-01?
The molecular weight of AB00105185-01 is 370.10 g/mol.
Where can I buy AB00105185-01?
You can request a quote for AB00105185-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105185-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105185-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.