RefChem:296005
TL;DR: RefChem:296005 (CAS 126947-75-9) is a chemical compound with molecular formula C28H41ClN2O2 and molecular weight 472.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,3-bis(1-adamantyloxy)-2-ethyl-6-methylpyridin-4-amine;hydrochloride
Also Known As: 4-Pyridinamine, N,3-bis(tricyclo(3.3.1.1(sup 3,7))dec-1-yloxy)-2-ethyl-6-methyl-monohydrochloride, 4-Adamantoylamino-3-adamantoyloxy-6-methyl-2-ethylpyridine hydrochloride, 4-Pyridinamine, 2-ethyl-6-methyl-N,3-bis(tricyclo(3.3.1.1.3,7)dec-1-yloxy)-, monohydrochloride, N,3-bis(1-adamantyloxy)-2-ethyl-6-methylpyridin-4-amine hydrochloride, 4-Pyridinamine, N,3-bis(tricyclo(3.3.1.1(sup3,7))dec-1-yloxy)-2-ethyl-6-methyl- HCl
| Molecular Formula | C28H41ClN2O2 |
|---|---|
| Molecular Weight | 472.29 g/mol |
| LogP | 7.03 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.28564 |
| Heavy Atoms | 33 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 126947-75-9 |
|---|---|
| SMILES | CCC1=NC(=CC(=C1OC23CC4CC(C2)CC(C4)C3)NOC56CC7CC(C5)CC(C7)C6)C.Cl |
| InChIKey | KNRMPXXTRXHENV-UHFFFAOYSA-N |
Product Overview
RefChem:296005 (CAS 126947-75-9), with molecular formula C28H41ClN2O2 and molecular weight 472.29 g/mol. IUPAC: N,3-bis(1-adamantyloxy)-2-ethyl-6-methylpyridin-4-amine;hydrochloride.
Chemical Property Profile of RefChem:296005
Property Insights of RefChem:296005
The XLogP value of 7.03 indicates that RefChem:296005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, RefChem:296005 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:296005 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:296005?
The CAS number of RefChem:296005 is 126947-75-9.
What is the molecular formula of RefChem:296005?
The molecular formula of RefChem:296005 is C28H41ClN2O2.
What is the molecular weight of RefChem:296005?
The molecular weight of RefChem:296005 is 472.29 g/mol.
Where can I buy RefChem:296005?
You can request a quote for RefChem:296005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296005?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.