AB00093870-01
TL;DR: AB00093870-01 (CAS 5696-14-0) is a chemical compound with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
Also Known As: AB00093870-01, ethyl 4-methyl-2-{[3-(3-nitrophenyl)acryloyl]amino}-1,3-thiazole-5-carboxylate, ETHYL 4-METHYL-2-[(2E)-3-(3-NITROPHENYL)PROP-2-ENAMIDO]-1,3-THIAZOLE-5-CARBOXYLATE, ethyl 4-methyl-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-1,3-thiazole-5-carboxylate, ethyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]-4-methyl-1,3-thiazole-5-carb oxylate
| Molecular Formula | C16H15N3O5S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 3.18832 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.07324 |
| Heavy Atoms | 25 |
| Complexity | 844.0458 |
Chemical Identifiers
| CAS Number | 5696-14-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C |
Product Overview
AB00093870-01 (CAS 5696-14-0), with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol. IUPAC: ethyl 4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AB00093870-01
Property Insights of AB00093870-01
The XLogP value of 3.18832 indicates that AB00093870-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00093870-01. Following Lipinski's Rule of Five, AB00093870-01 has 1 hydrogen bond donor(s) and 7 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 AB00093870-01?
The CAS number of AB00093870-01 is 5696-14-0.
What is the molecular formula of AB00093870-01?
The molecular formula of AB00093870-01 is C16H15N3O5S.
What is the molecular weight of AB00093870-01?
The molecular weight of AB00093870-01 is 361.07 g/mol.
Where can I buy AB00093870-01?
You can request a quote for AB00093870-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093870-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093870-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.