RefChem:1053531
TL;DR: RefChem:1053531 (CAS 74958-13-7) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Also Known As: (1S)-1-Methyl-2,3,4,5,6,7-hexahydro-1,6-methano-1H-4-benzazonin-10-ol hydrobromide, 1,6-Methano-1H-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-1-methyl-, hydrobromide, (1S)-, (-)-1-Methyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1H-4-benzazonine hydrobromide, 1-Methyl-2,3,4,5,6,7-hexahydro-1H-1,6-methano-4-benzazonin-10-ol, (1S)-1-Methyl-2,3,4,5,6,7-hexahydro-1H-1,6-methano-4-benzazonin-10-ol
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 2.2056 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 415.1964 |
Chemical Identifiers
| CAS Number | 74958-13-7 |
|---|---|
| SMILES | C[C@@]12CCNCC(C1)CC3=C2C=C(C=C3)O |
Product Overview
RefChem:1053531 (CAS 74958-13-7), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: (1S)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol.
Chemical Property Profile of RefChem:1053531
Property Insights of RefChem:1053531
The XLogP value of 2.2056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053531. With a topological polar surface area (TPSA) of 32.26 Ų, RefChem:1053531 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053531 has 2 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 RefChem:1053531?
The CAS number of RefChem:1053531 is 74958-13-7.
What is the molecular formula of RefChem:1053531?
The molecular formula of RefChem:1053531 is C14H19NO.
What is the molecular weight of RefChem:1053531?
The molecular weight of RefChem:1053531 is 217.15 g/mol.
Where can I buy RefChem:1053531?
You can request a quote for RefChem:1053531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053531?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.