RefChem:1063460
TL;DR: RefChem:1063460 (CAS 59081-91-3) 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.
(1S,9S)-1,11-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;2-hydroxypropanoic acid
Also Known As: 2,3,4,5,6,7-Hexahydro-1,4-dimethyl-1,6-methano-1H-4-benzazonin-10-ol lactate, 1,4-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-1,4-dimethyl-, lactate, 2-Hydroxypropanoic acid--1,4-dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methano-4-benzazonin-10-ol (1/1), 2-Hydroxypropanoic acid--(1S,6S)-1,4-dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methano-4-benzazonin-10-ol (1/1)
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 1.9996 |
| 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 | 572.1401 |
Chemical Identifiers
| CAS Number | 59081-91-3 |
|---|---|
| SMILES | CC(C(=O)O)O.C[C@@]12CCN(C[C@@H](C1)CC3=C2C=C(C=C3)O)C |
Product Overview
RefChem:1063460 (CAS 59081-91-3), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: (1S,9S)-1,11-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;2-hydroxypropanoic acid.
Chemical Property Profile of RefChem:1063460
Property Insights of RefChem:1063460
The XLogP value of 1.9996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1063460. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1063460. Following Lipinski's Rule of Five, RefChem:1063460 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:1063460?
The CAS number of RefChem:1063460 is 59081-91-3.
What is the molecular formula of RefChem:1063460?
The molecular formula of RefChem:1063460 is C18H27NO4.
What is the molecular weight of RefChem:1063460?
The molecular weight of RefChem:1063460 is 321.19 g/mol.
Where can I buy RefChem:1063460?
You can request a quote for RefChem:1063460 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063460?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.