RefChem:351918
TL;DR: RefChem:351918 (CAS 101756-53-0) is a chemical compound with molecular formula C19H23ClN2O4 and molecular weight 378.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-acetyloxy-2-cyano-2-phenylacetate;hydrochloride
Also Known As: Mandelic acid, alpha-cyano-, 1-alpha-H,5-alpha-H-tropan-3-alpha-ylester, alpha-acetate, hydrochloride, (8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 2-acetyloxy-2-cyano-2-phenyl-acetate Hydrochloride, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-acetyloxy-2-cyano-2-phenylacetate hydrochloride, 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl (acetyloxy)(cyano)(phenyl)acetate--hydrogen chloride (1/1), 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl (acetyloxy)(cyano)phenylacetate--hydrogen chloride (1/1)
| Molecular Formula | C19H23ClN2O4 |
|---|---|
| Molecular Weight | 378.13 g/mol |
| LogP | 2.55878 |
| Topological Polar Surface Area | 79.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.13464 |
| Heavy Atoms | 26 |
| Complexity | 691.2407 |
Chemical Identifiers
| CAS Number | 101756-53-0 |
|---|---|
| SMILES | CC(=O)OC(C#N)(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)N3C.Cl |
Product Overview
RefChem:351918 (CAS 101756-53-0), with molecular formula C19H23ClN2O4 and molecular weight 378.13 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-acetyloxy-2-cyano-2-phenylacetate;hydrochloride.
Chemical Property Profile of RefChem:351918
Property Insights of RefChem:351918
The XLogP value of 2.55878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:351918. The TPSA of 79.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:351918. Following Lipinski's Rule of Five, RefChem:351918 has 0 hydrogen bond donor(s) and 6 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:351918?
The CAS number of RefChem:351918 is 101756-53-0.
What is the molecular formula of RefChem:351918?
The molecular formula of RefChem:351918 is C19H23ClN2O4.
What is the molecular weight of RefChem:351918?
The molecular weight of RefChem:351918 is 378.13 g/mol.
Where can I buy RefChem:351918?
You can request a quote for RefChem:351918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351918?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.