RefChem:276757
TL;DR: RefChem:276757 (CAS 1213-02-1) is a chemical compound with molecular formula C14H26ClNO2 and molecular weight 275.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetate chloride
Also Known As: N-Ethoxycarbonylmethylcamphidine hydrochloride, 1,8,8-Trimethyl-3-azabicyclo(3.2.1)octane-3-acetic acid ethyl ester hydrochloride, 3-Azabicyclo(3.2.1)octane-3-acetic acid, 1,8,8-trimethyl-, ethyl ester, hydrochloride, ethyl 2-(5,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetate chloride, RefChem:276757
| Molecular Formula | C14H26ClNO2 |
|---|---|
| Molecular Weight | 275.17 g/mol |
| LogP | -2.11 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.1652 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 1213-02-1 |
|---|---|
| SMILES | CCOC(=O)C[NH+]1CC2CCC(C1)(C2(C)C)C.[Cl-] |
| InChIKey | NAMIBFKYRFGVHV-UHFFFAOYSA-N |
Product Overview
RefChem:276757 (CAS 1213-02-1), with molecular formula C14H26ClNO2 and molecular weight 275.17 g/mol. IUPAC: ethyl 2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetate chloride.
Chemical Property Profile of RefChem:276757
Property Insights of RefChem:276757
The XLogP value of -2.11 indicates that RefChem:276757 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:276757 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276757 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:276757?
The CAS number of RefChem:276757 is 1213-02-1.
What is the molecular formula of RefChem:276757?
The molecular formula of RefChem:276757 is C14H26ClNO2.
What is the molecular weight of RefChem:276757?
The molecular weight of RefChem:276757 is 275.17 g/mol.
Where can I buy RefChem:276757?
You can request a quote for RefChem:276757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276757?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.