AB00685096-01
TL;DR: AB00685096-01 (CAS 393838-96-5) is a chemical compound with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3,4-dimethyl-1,3-thiazole-5-carboxylate
Also Known As: AB00685096-01, F0715-0377, ethyl (2Z)-2-{[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]imino}-3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3,4-dimethyl-1,3-thiazole-5-carboxylate, (Z)-ethyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3,4-dimethyl-2,3-dihydrothiazole-5-carboxylate
| Molecular Formula | C18H17N3O5S |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 1.29522 |
| Topological Polar Surface Area | 98.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.0889 |
| Heavy Atoms | 27 |
| Complexity | 998.85834 |
Chemical Identifiers
| CAS Number | 393838-96-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)S1)C)C |
Product Overview
AB00685096-01 (CAS 393838-96-5), with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol. IUPAC: ethyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3,4-dimethyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AB00685096-01
Property Insights of AB00685096-01
The XLogP value of 1.29522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685096-01. The TPSA of 98.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685096-01. Following Lipinski's Rule of Five, AB00685096-01 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 AB00685096-01?
The CAS number of AB00685096-01 is 393838-96-5.
What is the molecular formula of AB00685096-01?
The molecular formula of AB00685096-01 is C18H17N3O5S.
What is the molecular weight of AB00685096-01?
The molecular weight of AB00685096-01 is 387.09 g/mol.
Where can I buy AB00685096-01?
You can request a quote for AB00685096-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685096-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685096-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.