RefChem:329185
TL;DR: RefChem:329185 (CAS 49832-47-5) is a chemical compound with molecular formula C18H29NO and molecular weight 275.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7,7-trimethyl-2-(4-pyrrolidin-1-ylbut-2-ynyl)bicyclo[2.2.1]heptan-2-ol
Also Known As: exo-2-(4-(1-Pyrrolidinyl)-2-butynyl)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol, Bicyclo(2.2.1)heptan-2-ol, 2-(4-(1-pyrrolidinyl)-2-butynyl)-1,7,7-trimethyl-, exo-, 1,7,7-Trimethyl-6-(4-pyrrolidin-1-ylbut-2-ynyl)bicyclo[2.2.1]heptan-6-ol, 1,7,7-Trimethyl-2-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]bicyclo[2.2.1]heptan-2-ol, 4,7,7-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)bicyclo[2.2.1]heptan-3-ol
| Molecular Formula | C18H29NO |
|---|---|
| Molecular Weight | 275.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.2249 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 49832-47-5 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2)(CC#CCN3CCCC3)O)C)C |
| InChIKey | YOSLJXMDGDYEFB-UHFFFAOYSA-N |
Product Overview
RefChem:329185 (CAS 49832-47-5), with molecular formula C18H29NO and molecular weight 275.22 g/mol. IUPAC: 1,7,7-trimethyl-2-(4-pyrrolidin-1-ylbut-2-ynyl)bicyclo[2.2.1]heptan-2-ol.
Chemical Property Profile of RefChem:329185
Property Insights of RefChem:329185
The XLogP value of 3.4 indicates that RefChem:329185 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:329185 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:329185 has 1 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:329185?
The CAS number of RefChem:329185 is 49832-47-5.
What is the molecular formula of RefChem:329185?
The molecular formula of RefChem:329185 is C18H29NO.
What is the molecular weight of RefChem:329185?
The molecular weight of RefChem:329185 is 275.22 g/mol.
Where can I buy RefChem:329185?
You can request a quote for RefChem:329185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329185?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.