RefChem:321713
TL;DR: RefChem:321713 (CAS 75513-77-8) is a chemical compound with molecular formula C21H31ClN2O2 and molecular weight 378.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[3-[[(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl]oxy]propyl]benzamide
Also Known As: Benzamide, 4-chloro-N-(3-((1,2,3,3-tetramethyl-2-azabicyclo(2.2.2)oct-5-yl)oxy)propyl)-, (1-alpha,4-alpha,5-alpha)-, 4-Chloro-N-{3-[(1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]propyl}benzamide, 4-Chloro-N-(3-{[(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl]oxy}propyl)benzamide, 4-chloro-N-[3-[[(1S,4R,5R)-1,7,8,8-tetramethyl-7-azabicyclo[2.2.2]oct-5-yl]oxy]propyl]benzamide, 4-chloro-N-[3-[[(1S,4S,6R)-2,2,3,4-tetramethyl-3-azabicyclo[2.2.2]octan-6-yl]oxy]propyl]benzamide
| Molecular Formula | C21H31ClN2O2 |
|---|---|
| Molecular Weight | 378.21 g/mol |
| LogP | 4.1279 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.2074 |
| Heavy Atoms | 26 |
| Complexity | 641.1612 |
Chemical Identifiers
| CAS Number | 75513-77-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]([C@@H](C1)OCCCNC(=O)C3=CC=C(C=C3)Cl)C(N2C)(C)C |
Product Overview
RefChem:321713 (CAS 75513-77-8), with molecular formula C21H31ClN2O2 and molecular weight 378.21 g/mol. IUPAC: 4-chloro-N-[3-[[(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl]oxy]propyl]benzamide.
Chemical Property Profile of RefChem:321713
Property Insights of RefChem:321713
The XLogP value of 4.1279 indicates that RefChem:321713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, RefChem:321713 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:321713 has 1 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:321713?
The CAS number of RefChem:321713 is 75513-77-8.
What is the molecular formula of RefChem:321713?
The molecular formula of RefChem:321713 is C21H31ClN2O2.
What is the molecular weight of RefChem:321713?
The molecular weight of RefChem:321713 is 378.21 g/mol.
Where can I buy RefChem:321713?
You can request a quote for RefChem:321713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321713?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.