RefChem:1053533
TL;DR: RefChem:1053533 (CAS 59168-75-1) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S,14S)-11,14-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;2-hydroxypropanoic acid
Also Known As: 4,12-alpha-Dimethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1H-4-benzazonine lactate, 1,6-Methano-1H-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-4,12-dimethyl-, (1-alpha,6-alpha,12S*)-, lactate, 4,12-beta-Dimethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1H-4-benzazonine lactate, RefChem:1053533
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 2.0715 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 557.95264 |
Chemical Identifiers
| CAS Number | 59168-75-1 |
|---|---|
| SMILES | C[C@H]1[C@H]2CCN(C[C@H]1CC3=C2C=C(C=C3)O)C.CC(C(=O)O)O |
Product Overview
RefChem:1053533 (CAS 59168-75-1), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: (1R,9S,14S)-11,14-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;2-hydroxypropanoic acid.
Chemical Property Profile of RefChem:1053533
Property Insights of RefChem:1053533
The XLogP value of 2.0715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053533. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1053533. Following Lipinski's Rule of Five, RefChem:1053533 has 3 hydrogen bond donor(s) and 4 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:1053533?
The CAS number of RefChem:1053533 is 59168-75-1.
What is the molecular formula of RefChem:1053533?
The molecular formula of RefChem:1053533 is C18H27NO4.
What is the molecular weight of RefChem:1053533?
The molecular weight of RefChem:1053533 is 321.19 g/mol.
Where can I buy RefChem:1053533?
You can request a quote for RefChem:1053533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053533?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.