BAS 04056898
TL;DR: BAS 04056898 (CAS 330828-48-3) is a chemical compound with molecular formula C15H21N3O and molecular weight 259.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butan-2-ylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
Also Known As: BAS 04056898, A3960/0168742, 2-(butan-2-ylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile, 2-(SEC-BUTYLAMINO)-7,7-DIMETHYL-7,8-DIHYDRO-5H-PYRANO[4,3-B]PYRIDINE-3-CARBONITRILE, 2-(butan-2-ylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
| Molecular Formula | C15H21N3O |
|---|---|
| Molecular Weight | 259.17 g/mol |
| LogP | 3.01498 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.16846 |
| Heavy Atoms | 19 |
| Complexity | 516.85736 |
Chemical Identifiers
| CAS Number | 330828-48-3 |
|---|---|
| SMILES | CCC(C)NC1=C(C=C2COC(CC2=N1)(C)C)C#N |
Product Overview
BAS 04056898 (CAS 330828-48-3), with molecular formula C15H21N3O and molecular weight 259.17 g/mol. IUPAC: 2-(butan-2-ylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 04056898
Property Insights of BAS 04056898
The XLogP value of 3.01498 indicates that BAS 04056898 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, BAS 04056898 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04056898 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 BAS 04056898?
The CAS number of BAS 04056898 is 330828-48-3.
What is the molecular formula of BAS 04056898?
The molecular formula of BAS 04056898 is C15H21N3O.
What is the molecular weight of BAS 04056898?
The molecular weight of BAS 04056898 is 259.17 g/mol.
Where can I buy BAS 04056898?
You can request a quote for BAS 04056898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04056898?
Yes, KEHONG BIO provides custom synthesis services for BAS 04056898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.