NCIOpen2_009627
TL;DR: NCIOpen2_009627 (CAS 77455-54-0) is a chemical compound with molecular formula C15H13ClN4O and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(3-chloropropanoyl)-2,3-dihydroquinoxalin-1-yl]methylidene]propanedinitrile
Also Known As: NCIOpen2_009627, KST-1B8525, {[4-(3-chloropropanoyl)-3,4-dihydroquinoxalin-1(2h)-yl]methylidene}propanedinitrile, 2-((4-(3-Chloropropanoyl)-3,4-dihydroquinoxalin-1(2H)-yl)methylene)malononitrile, 2-{[4-(3-chloropropanoyl)-1,2,3,4-tetrahydroquinoxalin-1-yl]methylidene}propanedinitrile
| Molecular Formula | C15H13ClN4O |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0778 |
| Heavy Atoms | 21 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 77455-54-0 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C2N1C=C(C#N)C#N)C(=O)CCCl |
| InChIKey | MKHINRCTKYILSH-UHFFFAOYSA-N |
Product Overview
NCIOpen2_009627 (CAS 77455-54-0), with molecular formula C15H13ClN4O and molecular weight 300.08 g/mol. IUPAC: 2-[[4-(3-chloropropanoyl)-2,3-dihydroquinoxalin-1-yl]methylidene]propanedinitrile.
Chemical Property Profile of NCIOpen2_009627
Property Insights of NCIOpen2_009627
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_009627. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_009627. Following Lipinski's Rule of Five, NCIOpen2_009627 has 0 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 NCIOpen2_009627?
The CAS number of NCIOpen2_009627 is 77455-54-0.
What is the molecular formula of NCIOpen2_009627?
The molecular formula of NCIOpen2_009627 is C15H13ClN4O.
What is the molecular weight of NCIOpen2_009627?
The molecular weight of NCIOpen2_009627 is 300.08 g/mol.
Where can I buy NCIOpen2_009627?
You can request a quote for NCIOpen2_009627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_009627?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_009627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.