ChemDiv1_009979
TL;DR: ChemDiv1_009979 (CAS 327068-46-2) is a chemical compound with molecular formula C25H29N3O4 and molecular weight 435.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)piperidine-1-carboxylate
Also Known As: ChemDiv1_009979, benzyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)piperidine-1-carboxylate, benzyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)piperidine-1-carboxylate
| Molecular Formula | C25H29N3O4 |
|---|---|
| Molecular Weight | 435.22 g/mol |
| LogP | 4.01868 |
| Topological Polar Surface Area | 105.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.21582 |
| Heavy Atoms | 32 |
| Complexity | 1011.3727 |
Chemical Identifiers
| CAS Number | 327068-46-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)C(=O)C1)C |
Product Overview
ChemDiv1_009979 (CAS 327068-46-2), with molecular formula C25H29N3O4 and molecular weight 435.22 g/mol. IUPAC: benzyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)piperidine-1-carboxylate.
Chemical Property Profile of ChemDiv1_009979
Property Insights of ChemDiv1_009979
The XLogP value of 4.01868 indicates that ChemDiv1_009979 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009979. Following Lipinski's Rule of Five, ChemDiv1_009979 has 1 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 ChemDiv1_009979?
The CAS number of ChemDiv1_009979 is 327068-46-2.
What is the molecular formula of ChemDiv1_009979?
The molecular formula of ChemDiv1_009979 is C25H29N3O4.
What is the molecular weight of ChemDiv1_009979?
The molecular weight of ChemDiv1_009979 is 435.22 g/mol.
Where can I buy ChemDiv1_009979?
You can request a quote for ChemDiv1_009979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009979?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.