RefChem:1068942
TL;DR: RefChem:1068942 (CAS 89246-79-7) is a chemical compound with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethanimidoyl-1-propan-2-yloxy-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-3-one
Also Known As: 6,7,8,9-Tetrahydro-4-(1-iminoethyl)-1-isopropoxy-5H-cyclohepta(c)pyridin-3-ol, 3H-Cyclohepta(c)pyridin-3-one, 2,5,6,7,8,9-hexahydro-4-(1-iminoethyl)-1-(1-methylethoxy)-, 2,5,6,7,8,9-Hexahydro-4-(1-iminoethyl)-1-(1-methylethoxy)-3H-cyclohepta(c)pyridin-3-one, 5H-Cyclohepta(c)pyridin-3-ol, 6,7,8,9-tetrahydro-4-(1-iminoethyl)-1-isopropoxy-, (4Z)-4-(1-aminoethylidene)-1-propan-2-yloxy-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-one
| Molecular Formula | C15H22N2O2 |
|---|---|
| Molecular Weight | 262.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.16812 |
| Heavy Atoms | 19 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 89246-79-7 |
|---|---|
| SMILES | CC(C)OC1=C2CCCCCC2=C(C(=O)N1)C(=N)C |
| InChIKey | RHWUYHOUDHNSSJ-UHFFFAOYSA-N |
Product Overview
RefChem:1068942 (CAS 89246-79-7), with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol. IUPAC: 4-ethanimidoyl-1-propan-2-yloxy-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-3-one.
Chemical Property Profile of RefChem:1068942
Property Insights of RefChem:1068942
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068942. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068942. Following Lipinski's Rule of Five, RefChem:1068942 has 2 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 RefChem:1068942?
The CAS number of RefChem:1068942 is 89246-79-7.
What is the molecular formula of RefChem:1068942?
The molecular formula of RefChem:1068942 is C15H22N2O2.
What is the molecular weight of RefChem:1068942?
The molecular weight of RefChem:1068942 is 262.17 g/mol.
Where can I buy RefChem:1068942?
You can request a quote for RefChem:1068942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068942?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.