AB00047071-01
TL;DR: AB00047071-01 (CAS 4012-05-9) is a chemical compound with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-6-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyran-2-one
Also Known As: AB00047071-01, 4-methyl-6-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyran-2-one, 4-Methyl-6-{4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl}-2H-pyran-2-one
| Molecular Formula | C25H23N3O4S |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 5.05494 |
| Topological Polar Surface Area | 89.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.14093 |
| Heavy Atoms | 33 |
| Complexity | 1347.4916 |
Chemical Identifiers
| CAS Number | 4012-05-9 |
|---|---|
| SMILES | CC1=CC(=O)OC(=C1)C(=O)N2CCC(CC2)C3=NC(=CS3)C4=C(ON=C4C5=CC=CC=C5)C |
Product Overview
AB00047071-01 (CAS 4012-05-9), with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol. IUPAC: 4-methyl-6-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyran-2-one.
Chemical Property Profile of AB00047071-01
Property Insights of AB00047071-01
The XLogP value of 5.05494 indicates that AB00047071-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00047071-01. Following Lipinski's Rule of Five, AB00047071-01 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00047071-01?
The CAS number of AB00047071-01 is 4012-05-9.
What is the molecular formula of AB00047071-01?
The molecular formula of AB00047071-01 is C25H23N3O4S.
What is the molecular weight of AB00047071-01?
The molecular weight of AB00047071-01 is 461.14 g/mol.
Where can I buy AB00047071-01?
You can request a quote for AB00047071-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00047071-01?
Yes, KEHONG BIO provides custom synthesis services for AB00047071-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.