AO-081/40842141
TL;DR: AO-081/40842141 (CAS 498560-80-8) is a chemical compound with molecular formula C33H30N2O7S and molecular weight 598.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(3-methoxy-2-propoxyphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AO-081/40842141, ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(3-methoxy-2-propoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-(1,3-benzodioxol-5-ylmethylene)-5-(3-methoxy-2-propoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(3-methoxy-2-propoxyphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C33H30N2O7S |
|---|---|
| Molecular Weight | 598.18 g/mol |
| LogP | 4.4617 |
| Topological Polar Surface Area | 97.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 598.17737 |
| Heavy Atoms | 43 |
| Complexity | 1892.4232 |
Chemical Identifiers
| CAS Number | 498560-80-8 |
|---|---|
| SMILES | CCCOC1=C(C=CC=C1OC)C2C(=C(N=C3N2C(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/S3)C6=CC=CC=C6)C(=O)OCC |
Product Overview
AO-081/40842141 (CAS 498560-80-8), with molecular formula C33H30N2O7S and molecular weight 598.18 g/mol. IUPAC: ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(3-methoxy-2-propoxyphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AO-081/40842141
Property Insights of AO-081/40842141
The XLogP value of 4.4617 indicates that AO-081/40842141 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.58 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40842141. Following Lipinski's Rule of Five, AO-081/40842141 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40842141?
The CAS number of AO-081/40842141 is 498560-80-8.
What is the molecular formula of AO-081/40842141?
The molecular formula of AO-081/40842141 is C33H30N2O7S.
What is the molecular weight of AO-081/40842141?
The molecular weight of AO-081/40842141 is 598.18 g/mol.
Where can I buy AO-081/40842141?
You can request a quote for AO-081/40842141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40842141?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40842141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.