Secocubane-ccip
TL;DR: Secocubane-ccip (CAS 130602-28-7) is a chemical compound with molecular formula C13H14Cl2N2O and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dichloro-1-cyano-N-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane-4-carboxamide
Also Known As: Secocubane-ccip, N-furfurylidene-p-toluidine, 4,7-Dichloro-1-cyano-N-isopropyltetracyclo(4.2.0.0.(2,5).0(3,8))octane-4-carboxamide, 4,7-dichloro-1-cyano-N-isopropyltetracyclo(4.2.0.0. .0 octane-4-carboxamide, 4,7-dichloro-1-cyano-N-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane-4-carboxamide
| Molecular Formula | C13H14Cl2N2O |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0483 |
| Heavy Atoms | 18 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 130602-28-7 |
|---|---|
| SMILES | CC(C)NC(=O)C1(C2C3C1C4C3(C2C4Cl)C#N)Cl |
| InChIKey | IPFOJPYHGMAZTE-UHFFFAOYSA-N |
Product Overview
Secocubane-ccip (CAS 130602-28-7), with molecular formula C13H14Cl2N2O and molecular weight 284.05 g/mol. IUPAC: 4,7-dichloro-1-cyano-N-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane-4-carboxamide.
Chemical Property Profile of Secocubane-ccip
Property Insights of Secocubane-ccip
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Secocubane-ccip. With a topological polar surface area (TPSA) of 52.9 Ų, Secocubane-ccip exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Secocubane-ccip has 1 hydrogen bond donor(s) and 2 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 Secocubane-ccip?
The CAS number of Secocubane-ccip is 130602-28-7.
What is the molecular formula of Secocubane-ccip?
The molecular formula of Secocubane-ccip is C13H14Cl2N2O.
What is the molecular weight of Secocubane-ccip?
The molecular weight of Secocubane-ccip is 284.05 g/mol.
Where can I buy Secocubane-ccip?
You can request a quote for Secocubane-ccip directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secocubane-ccip?
Yes, KEHONG BIO provides custom synthesis services for Secocubane-ccip and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.