RefChem:335272
TL;DR: RefChem:335272 (CAS 16795-58-7) is a chemical compound with molecular formula C21H29ClN2O and molecular weight 360.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexane-1-carboxamide;hydrochloride
Also Known As: Cyclohexanecarboxamide, 1-phenyl-N-(4-(1-pyrrolidinyl)-2-butynyl)-, monohydrochloride, hydrate, 1-Phenyl-N-(4-(1-pyrrolidinyl)-2-butynyl)cyclohexanecarboxamide hydrochloride hydrate, 1-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexane-1-carboxamide hydrochloride, 1-Phenyl-N-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]cyclohexane-1-carboxamide--hydrogen chloride (1/1), RefChem:335272
| Molecular Formula | C21H29ClN2O |
|---|---|
| Molecular Weight | 360.20 g/mol |
| LogP | 3.5257 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.19684 |
| Heavy Atoms | 25 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 16795-58-7 |
|---|---|
| SMILES | C1CCC(CC1)(C2=CC=CC=C2)C(=O)NCC#CCN3CCCC3.Cl |
| InChIKey | KHMYAJYQDOLMSE-UHFFFAOYSA-N |
Product Overview
RefChem:335272 (CAS 16795-58-7), with molecular formula C21H29ClN2O and molecular weight 360.20 g/mol. IUPAC: 1-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexane-1-carboxamide;hydrochloride.
Chemical Property Profile of RefChem:335272
Property Insights of RefChem:335272
The XLogP value of 3.5257 indicates that RefChem:335272 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, RefChem:335272 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335272 has 2 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:335272?
The CAS number of RefChem:335272 is 16795-58-7.
What is the molecular formula of RefChem:335272?
The molecular formula of RefChem:335272 is C21H29ClN2O.
What is the molecular weight of RefChem:335272?
The molecular weight of RefChem:335272 is 360.20 g/mol.
Where can I buy RefChem:335272?
You can request a quote for RefChem:335272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335272?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.