CID 105645
TL;DR: CID 105645 (CAS 67801-21-2) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-2-ylmethylidene)heptanal
Also Known As: 2-Furfurylidene-1-heptanal, Heptanal, 2-(2-furanylmethylene)-, 2-((2-Furanyl)methylene)heptanal, 2-(2-Furylmethylene)heptan-1-al, 2-(furan-2-ylmethylidene)heptanal
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 67801-21-2 |
|---|---|
| SMILES | CCCCCC(=CC1=CC=CO1)C=O |
| InChIKey | VYGHECBPCQNYIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 105645 (CAS 67801-21-2), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-(furan-2-ylmethylidene)heptanal.
Chemical Property Profile of CID 105645
Property Insights of CID 105645
The XLogP value of 3.3 indicates that CID 105645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.2 Ų, CID 105645 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 105645 has 0 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 CID 105645?
The CAS number of CID 105645 is 67801-21-2.
What is the molecular formula of CID 105645?
The molecular formula of CID 105645 is C12H16O2.
What is the molecular weight of CID 105645?
The molecular weight of CID 105645 is 192.12 g/mol.
Where can I buy CID 105645?
You can request a quote for CID 105645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 105645?
Yes, KEHONG BIO provides custom synthesis services for CID 105645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.