RefChem:235131
TL;DR: RefChem:235131 (CAS 27865-94-7) is a chemical compound with molecular formula C23H40ClNO2 and molecular weight 397.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantylmethoxy)-3-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)propan-2-ol;hydrochloride
Also Known As: 1-Pyridineethanol, 1,2,5,6-tetrahydro-alpha-(1-adamantylmethoxymethyl)-2,2,6,6-tetramethyl-, hydrochloride, 1,2,5,6-Tetramethyl-alpha-(1-adamantylmethoxymethyl)-2,2,6,6-tetrahydro-1-pyridineethanol HCl, 1-(1-adamantylmethoxy)-3-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)propan-2-ol hydrochloride, 1(2H)-Pyridineethanol, alpha-((1-adamantylmethoxy)methyl)-3,6-dihydro-2,2,6,6-tetramethyl-, hydrochloride, 1(2H)-Pyridineethanol, alpha-(1-adamantylmethoxymethyl)-3,6-dihydro-2,2,6,6-tetramethyl-, hydrochloride
| Molecular Formula | C23H40ClNO2 |
|---|---|
| Molecular Weight | 397.27 g/mol |
| LogP | 4.82 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.27475 |
| Heavy Atoms | 27 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 27865-94-7 |
|---|---|
| SMILES | CC1(CC=CC(N1CC(COCC23CC4CC(C2)CC(C4)C3)O)(C)C)C.Cl |
| InChIKey | MLNILFKUHCWNAF-UHFFFAOYSA-N |
Product Overview
RefChem:235131 (CAS 27865-94-7), with molecular formula C23H40ClNO2 and molecular weight 397.27 g/mol. IUPAC: 1-(1-adamantylmethoxy)-3-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)propan-2-ol;hydrochloride.
Chemical Property Profile of RefChem:235131
Property Insights of RefChem:235131
The XLogP value of 4.82 indicates that RefChem:235131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, RefChem:235131 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:235131 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:235131?
The CAS number of RefChem:235131 is 27865-94-7.
What is the molecular formula of RefChem:235131?
The molecular formula of RefChem:235131 is C23H40ClNO2.
What is the molecular weight of RefChem:235131?
The molecular weight of RefChem:235131 is 397.27 g/mol.
Where can I buy RefChem:235131?
You can request a quote for RefChem:235131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235131?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.