ChemDiv1_023422
TL;DR: ChemDiv1_023422 (CAS 308294-08-8) is a chemical compound with molecular formula C17H15N5 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1H-pyrrol-2-yl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: ChemDiv1_023422, BAS 02228780, AN-329/14789110, 2-Amino-4-(1H-pyrrol-2-yl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile, 2-amino-4-(1H-pyrrol-2-yl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
| Molecular Formula | C17H15N5 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.13275 |
| Heavy Atoms | 22 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 308294-08-8 |
|---|---|
| SMILES | C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CN3 |
| InChIKey | MUDRVGIGKNSODE-UHFFFAOYSA-N |
Product Overview
ChemDiv1_023422 (CAS 308294-08-8), with molecular formula C17H15N5 and molecular weight 289.13 g/mol. IUPAC: 2-amino-4-(1H-pyrrol-2-yl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of ChemDiv1_023422
Property Insights of ChemDiv1_023422
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023422. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023422. Following Lipinski's Rule of Five, ChemDiv1_023422 has 2 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 ChemDiv1_023422?
The CAS number of ChemDiv1_023422 is 308294-08-8.
What is the molecular formula of ChemDiv1_023422?
The molecular formula of ChemDiv1_023422 is C17H15N5.
What is the molecular weight of ChemDiv1_023422?
The molecular weight of ChemDiv1_023422 is 289.13 g/mol.
Where can I buy ChemDiv1_023422?
You can request a quote for ChemDiv1_023422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023422?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.