DivK1c_005027
TL;DR: DivK1c_005027 (CAS 431077-20-2) is a chemical compound with molecular formula C17H16N2O2 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Also Known As: DivK1c_005027, CDS1_003987, BIM-0017356.P001, 2-(pyridin-3-ylmethyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione, 2-(pyridin-3-ylmethyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
| Molecular Formula | C17H16N2O2 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 1.7788 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.1212 |
| Heavy Atoms | 21 |
| Complexity | 643.29034 |
Chemical Identifiers
| CAS Number | 431077-20-2 |
|---|---|
| SMILES | C1CC12C3C=CC2C4C3C(=O)N(C4=O)CC5=CN=CC=C5 |
Product Overview
DivK1c_005027 (CAS 431077-20-2), with molecular formula C17H16N2O2 and molecular weight 280.12 g/mol. IUPAC: 4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.
Chemical Property Profile of DivK1c_005027
Property Insights of DivK1c_005027
The XLogP value of 1.7788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DivK1c_005027. With a topological polar surface area (TPSA) of 50.27 Ų, DivK1c_005027 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DivK1c_005027 has 0 hydrogen bond donor(s) and 3 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 DivK1c_005027?
The CAS number of DivK1c_005027 is 431077-20-2.
What is the molecular formula of DivK1c_005027?
The molecular formula of DivK1c_005027 is C17H16N2O2.
What is the molecular weight of DivK1c_005027?
The molecular weight of DivK1c_005027 is 280.12 g/mol.
Where can I buy DivK1c_005027?
You can request a quote for DivK1c_005027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005027?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.