AB00100752-01
TL;DR: AB00100752-01 (CAS 307342-96-7) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[2-(4-methylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]benzoate
Also Known As: AB00100752-01, methyl 4-[(2-(4-methyl-1-piperazinyl)-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate, methyl 4-[(Z)-[2-(4-methylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]benzoate, (Z)-methyl 4-((2-(4-methylpiperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)benzoate
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 1.6909 |
| Topological Polar Surface Area | 62.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 704.2959 |
Chemical Identifiers
| CAS Number | 307342-96-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/S2 |
Product Overview
AB00100752-01 (CAS 307342-96-7), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: methyl 4-[(Z)-[2-(4-methylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]benzoate.
Chemical Property Profile of AB00100752-01
Property Insights of AB00100752-01
The XLogP value of 1.6909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00100752-01. The TPSA of 62.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00100752-01. Following Lipinski's Rule of Five, AB00100752-01 has 0 hydrogen bond donor(s) and 6 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 AB00100752-01?
The CAS number of AB00100752-01 is 307342-96-7.
What is the molecular formula of AB00100752-01?
The molecular formula of AB00100752-01 is C17H19N3O3S.
What is the molecular weight of AB00100752-01?
The molecular weight of AB00100752-01 is 345.11 g/mol.
Where can I buy AB00100752-01?
You can request a quote for AB00100752-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00100752-01?
Yes, KEHONG BIO provides custom synthesis services for AB00100752-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.