RefChem:1074748
TL;DR: RefChem:1074748 (CAS 136-68-5) is a chemical compound with molecular formula C16H21ClN2O4 and molecular weight 340.12 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-(4-nitrophenyl)acetate;hydrochloride
Also Known As: Tropine (p-nitrophenyl)acetate HCl, 3-Tropanyl p-nitrophenylacetate, hydrochloride, Tropine (p-nitrophenyl)acetate hydrochloride, 3-psi-Tropine p-nitrophenylacetate, hydrochloride, 3-alpha-Tropine-p-nitrophenylacetate hydrochloride
| Molecular Formula | C16H21ClN2O4 |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 2.73 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.119 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 136-68-5 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)CC3=CC=C(C=C3)[N+](=O)[O-].Cl |
| InChIKey | NSTZBRWSQQAOEP-UHFFFAOYSA-N |
Product Overview
RefChem:1074748 (CAS 136-68-5), with molecular formula C16H21ClN2O4 and molecular weight 340.12 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-nitrophenyl)acetate;hydrochloride.
Chemical Property Profile of RefChem:1074748
Property Insights of RefChem:1074748
The XLogP value of 2.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074748. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1074748. Following Lipinski's Rule of Five, RefChem:1074748 has 1 hydrogen bond donor(s) and 5 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:1074748?
The CAS number of RefChem:1074748 is 136-68-5.
What is the molecular formula of RefChem:1074748?
The molecular formula of RefChem:1074748 is C16H21ClN2O4.
What is the molecular weight of RefChem:1074748?
The molecular weight of RefChem:1074748 is 340.12 g/mol.
Where can I buy RefChem:1074748?
You can request a quote for RefChem:1074748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074748?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.