ChemDiv1_024721
TL;DR: ChemDiv1_024721 (CAS 328938-13-2) is a chemical compound with molecular formula C23H23ClN4 and molecular weight 390.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-tert-butyl-4-(2-chlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: ChemDiv1_024721, A0565/0026112, 2-amino-6-(tert-butyl)-4-(2-chlorophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile, 2-AMINO-6-TERT-BUTYL-4-(2-CHLOROPHENYL)-3,4,4A,5,6,7-HEXAHYDRONAPHTHALENE-1,3,3-TRICARBONITRILE, 2-amino-6-tert-butyl-4-(2-chlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
| Molecular Formula | C23H23ClN4 |
|---|---|
| Molecular Weight | 390.16 g/mol |
| LogP | 5.20584 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.16113 |
| Heavy Atoms | 28 |
| Complexity | 977.1445 |
Chemical Identifiers
| CAS Number | 328938-13-2 |
|---|---|
| SMILES | CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3Cl |
Product Overview
ChemDiv1_024721 (CAS 328938-13-2), with molecular formula C23H23ClN4 and molecular weight 390.16 g/mol. IUPAC: 2-amino-6-tert-butyl-4-(2-chlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of ChemDiv1_024721
Property Insights of ChemDiv1_024721
The XLogP value of 5.20584 indicates that ChemDiv1_024721 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024721. Following Lipinski's Rule of Five, ChemDiv1_024721 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_024721?
The CAS number of ChemDiv1_024721 is 328938-13-2.
What is the molecular formula of ChemDiv1_024721?
The molecular formula of ChemDiv1_024721 is C23H23ClN4.
What is the molecular weight of ChemDiv1_024721?
The molecular weight of ChemDiv1_024721 is 390.16 g/mol.
Where can I buy ChemDiv1_024721?
You can request a quote for ChemDiv1_024721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024721?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.