AB00684557-01
TL;DR: AB00684557-01 (CAS 690250-85-2) is a chemical compound with molecular formula C18H14N4O4S2 and molecular weight 414.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[(2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
Also Known As: AB00684557-01, ethyl 2-(2-(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamido)thiazol-4-yl)acetate, F0598-0108, ethyl 2-[2-[(2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
| Molecular Formula | C18H14N4O4S2 |
|---|---|
| Molecular Weight | 414.05 g/mol |
| LogP | 2.7236 |
| Topological Polar Surface Area | 102.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.04565 |
| Heavy Atoms | 28 |
| Complexity | 1257.4281 |
Chemical Identifiers
| CAS Number | 690250-85-2 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O |
Product Overview
AB00684557-01 (CAS 690250-85-2), with molecular formula C18H14N4O4S2 and molecular weight 414.05 g/mol. IUPAC: ethyl 2-[2-[(2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of AB00684557-01
Property Insights of AB00684557-01
The XLogP value of 2.7236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684557-01. The TPSA of 102.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684557-01. Following Lipinski's Rule of Five, AB00684557-01 has 1 hydrogen bond donor(s) and 8 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 AB00684557-01?
The CAS number of AB00684557-01 is 690250-85-2.
What is the molecular formula of AB00684557-01?
The molecular formula of AB00684557-01 is C18H14N4O4S2.
What is the molecular weight of AB00684557-01?
The molecular weight of AB00684557-01 is 414.05 g/mol.
Where can I buy AB00684557-01?
You can request a quote for AB00684557-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684557-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684557-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.