ChemDiv2_003885
TL;DR: ChemDiv2_003885 (CAS 332045-36-0) is a chemical compound with molecular formula C16H22N2O2 and molecular weight 274.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-butan-2-yl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: ChemDiv2_003885, IDI1_002600, BAS 00865216, 2-amino-4-(sec-butyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 1-Benzyl-3,4-dihydroxy-pyrrolidin-2,5-dion
| Molecular Formula | C16H22N2O2 |
|---|---|
| Molecular Weight | 274.17 g/mol |
| LogP | 3.01598 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.16812 |
| Heavy Atoms | 20 |
| Complexity | 549.3144 |
Chemical Identifiers
| CAS Number | 332045-36-0 |
|---|---|
| SMILES | CCC(C)C1C(=C(OC2=C1C(=O)CC(C2)(C)C)N)C#N |
Product Overview
ChemDiv2_003885 (CAS 332045-36-0), with molecular formula C16H22N2O2 and molecular weight 274.17 g/mol. IUPAC: 2-amino-4-butan-2-yl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of ChemDiv2_003885
Property Insights of ChemDiv2_003885
The XLogP value of 3.01598 indicates that ChemDiv2_003885 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003885. Following Lipinski's Rule of Five, ChemDiv2_003885 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 ChemDiv2_003885?
The CAS number of ChemDiv2_003885 is 332045-36-0.
What is the molecular formula of ChemDiv2_003885?
The molecular formula of ChemDiv2_003885 is C16H22N2O2.
What is the molecular weight of ChemDiv2_003885?
The molecular weight of ChemDiv2_003885 is 274.17 g/mol.
Where can I buy ChemDiv2_003885?
You can request a quote for ChemDiv2_003885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003885?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.