ChemDiv2_002450
TL;DR: ChemDiv2_002450 (CAS 135507-75-4) is a chemical compound with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,4-diethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile
Also Known As: ChemDiv2_002450, J1.322.086G, A2844/0119982, 2-amino-4,4-diethoxy-3-azaspiro[bicyclo[3.1.0]hexane-6,1'-cyclohexane]-2-ene-1,5-dicarbonitrile, 2-AMINO-4,4-DIETHOXY-3-AZASPIRO[BICYCLO[3.1.0]HEXANE-6,1'-CYCLOHEXAN]-2-ENE-1,5-DICARBONITRILE
| Molecular Formula | C16H22N4O2 |
|---|---|
| Molecular Weight | 302.17 g/mol |
| LogP | 2.06806 |
| Topological Polar Surface Area | 104.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.1743 |
| Heavy Atoms | 22 |
| Complexity | 590.2475 |
Chemical Identifiers
| CAS Number | 135507-75-4 |
|---|---|
| SMILES | CCOC1(C2(C3(C2(C(=N1)N)C#N)CCCCC3)C#N)OCC |
Product Overview
ChemDiv2_002450 (CAS 135507-75-4), with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol. IUPAC: 2-amino-4,4-diethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile.
Chemical Property Profile of ChemDiv2_002450
Property Insights of ChemDiv2_002450
The XLogP value of 2.06806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_002450. The TPSA of 104.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002450. Following Lipinski's Rule of Five, ChemDiv2_002450 has 1 hydrogen bond donor(s) and 6 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_002450?
The CAS number of ChemDiv2_002450 is 135507-75-4.
What is the molecular formula of ChemDiv2_002450?
The molecular formula of ChemDiv2_002450 is C16H22N4O2.
What is the molecular weight of ChemDiv2_002450?
The molecular weight of ChemDiv2_002450 is 302.17 g/mol.
Where can I buy ChemDiv2_002450?
You can request a quote for ChemDiv2_002450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002450?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.