ChemDiv1_010719
TL;DR: ChemDiv1_010719 (CAS 330179-89-0) is a chemical compound with molecular formula C26H25FN4O3S and molecular weight 492.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010719, A0532/0024573, propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(3-fluorophenyl)-4H-pyran-3-carboxylate, isopropyl 6-amino-5-cyano-2-(((3-cyano-4,5,6-trimethylpyridin-2-yl)thio)methyl)-4-(3-fluorophenyl)-4H-pyran-3-carboxylate, ISOPROPYL 6-AMINO-5-CYANO-2-{[(3-CYANO-4,5,6-TRIMETHYLPYRIDIN-2-YL)SULFANYL]METHYL}-4-(3-FLUOROPHENYL)-4H-PYRAN-3-CARBOXYLATE
| Molecular Formula | C26H25FN4O3S |
|---|---|
| Molecular Weight | 492.16 g/mol |
| LogP | 4.82332 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.16315 |
| Heavy Atoms | 35 |
| Complexity | 1335.3279 |
Chemical Identifiers
| CAS Number | 330179-89-0 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C)SCC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)F)C(=O)OC(C)C)C#N)C |
Product Overview
ChemDiv1_010719 (CAS 330179-89-0), with molecular formula C26H25FN4O3S and molecular weight 492.16 g/mol. IUPAC: propan-2-yl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010719
Property Insights of ChemDiv1_010719
The XLogP value of 4.82332 indicates that ChemDiv1_010719 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010719. Following Lipinski's Rule of Five, ChemDiv1_010719 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 ChemDiv1_010719?
The CAS number of ChemDiv1_010719 is 330179-89-0.
What is the molecular formula of ChemDiv1_010719?
The molecular formula of ChemDiv1_010719 is C26H25FN4O3S.
What is the molecular weight of ChemDiv1_010719?
The molecular weight of ChemDiv1_010719 is 492.16 g/mol.
Where can I buy ChemDiv1_010719?
You can request a quote for ChemDiv1_010719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010719?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.