AS-871/42094082
TL;DR: AS-871/42094082 (CAS 620553-53-9) is a chemical compound with molecular formula C21H26N2O4S and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-methyl-6-[4-(3-methylbutoxy)phenyl]-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Also Known As: AS-871/42094082, methyl 8-methyl-6-[4-(3-methylbutoxy)phenyl]-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, methyl 8-methyl-6-[4-(3-methylbutoxy)phenyl]-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, methyl 6-[4-(isopentyloxy)phenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, methyl 8-methyl-6-[4-(3-methylbutoxy)phenyl]-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
| Molecular Formula | C21H26N2O4S |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 3.9347 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.16132 |
| Heavy Atoms | 28 |
| Complexity | 814.1994 |
Chemical Identifiers
| CAS Number | 620553-53-9 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)OCCC(C)C)C(=O)OC |
Product Overview
AS-871/42094082 (CAS 620553-53-9), with molecular formula C21H26N2O4S and molecular weight 402.16 g/mol. IUPAC: methyl 8-methyl-6-[4-(3-methylbutoxy)phenyl]-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
Chemical Property Profile of AS-871/42094082
Property Insights of AS-871/42094082
The XLogP value of 3.9347 indicates that AS-871/42094082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42094082. Following Lipinski's Rule of Five, AS-871/42094082 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 AS-871/42094082?
The CAS number of AS-871/42094082 is 620553-53-9.
What is the molecular formula of AS-871/42094082?
The molecular formula of AS-871/42094082 is C21H26N2O4S.
What is the molecular weight of AS-871/42094082?
The molecular weight of AS-871/42094082 is 402.16 g/mol.
Where can I buy AS-871/42094082?
You can request a quote for AS-871/42094082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42094082?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42094082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.