AB00686180-01
TL;DR: AB00686180-01 (CAS 691377-80-7) is a chemical compound with molecular formula C18H25N3O4S2 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-ethyl-2-[[2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]thiophene-3-carboxylate
Also Known As: AB00686180-01, AP-906/42287274, (E)-ethyl 5-ethyl-2-(2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamido)thiophene-3-carboxylate, F1593-0040, ETHYL 5-ETHYL-2-{2-[(2E)-3-ETHYL-2-(ETHYLIMINO)-4-OXO-1,3-THIAZOLIDIN-5-YL]ACETAMIDO}THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H25N3O4S2 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.1556 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.12866 |
| Heavy Atoms | 27 |
| Complexity | 744.9652 |
Chemical Identifiers
| CAS Number | 691377-80-7 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)CC2C(=O)N(C(=NCC)S2)CC)C(=O)OCC |
Product Overview
AB00686180-01 (CAS 691377-80-7), with molecular formula C18H25N3O4S2 and molecular weight 411.13 g/mol. IUPAC: ethyl 5-ethyl-2-[[2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AB00686180-01
Property Insights of AB00686180-01
The XLogP value of 3.1556 indicates that AB00686180-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686180-01. Following Lipinski's Rule of Five, AB00686180-01 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 AB00686180-01?
The CAS number of AB00686180-01 is 691377-80-7.
What is the molecular formula of AB00686180-01?
The molecular formula of AB00686180-01 is C18H25N3O4S2.
What is the molecular weight of AB00686180-01?
The molecular weight of AB00686180-01 is 411.13 g/mol.
Where can I buy AB00686180-01?
You can request a quote for AB00686180-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686180-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686180-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.