A3960/0168766
TL;DR: A3960/0168766 (CAS 371931-67-8) is a chemical compound with molecular formula C16H23N3O and molecular weight 273.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
Also Known As: A3960/0168766, 2-(ISOPENTYLAMINO)-7,7-DIMETHYL-7,8-DIHYDRO-5H-PYRANO[4,3-B]PYRIDIN-3-YL CYANIDE, 2-(isopentylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile, 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile, 7,7-dimethyl-2-[(3-methylbutyl)amino]-5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile
| Molecular Formula | C16H23N3O |
|---|---|
| Molecular Weight | 273.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.1841 |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 371931-67-8 |
|---|---|
| SMILES | CC(C)CCNC1=C(C=C2COC(CC2=N1)(C)C)C#N |
| InChIKey | QKHPWRLFCMGPBM-UHFFFAOYSA-N |
Product Overview
A3960/0168766 (CAS 371931-67-8), with molecular formula C16H23N3O and molecular weight 273.18 g/mol. IUPAC: 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
Chemical Property Profile of A3960/0168766
Property Insights of A3960/0168766
The XLogP value of 3.5 indicates that A3960/0168766 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, A3960/0168766 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3960/0168766 has 1 hydrogen bond donor(s) and 4 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 A3960/0168766?
The CAS number of A3960/0168766 is 371931-67-8.
What is the molecular formula of A3960/0168766?
The molecular formula of A3960/0168766 is C16H23N3O.
What is the molecular weight of A3960/0168766?
The molecular weight of A3960/0168766 is 273.18 g/mol.
Where can I buy A3960/0168766?
You can request a quote for A3960/0168766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3960/0168766?
Yes, KEHONG BIO provides custom synthesis services for A3960/0168766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.