Atagabalin HCl
TL;DR: Atagabalin HCl (CAS 223445-67-8) is a chemical compound with molecular formula C10H20ClNO2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid;hydrochloride
Also Known As: Atagabalin HCl, EX-A9139, 2-[1-(aminomethyl)-3,4-dimethyl-cyclopentyl]acetic Acid Hydrochloride
| Molecular Formula | C10H20ClNO2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 1.894 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.11826 |
| Heavy Atoms | 14 |
| Complexity | 198.29868 |
Chemical Identifiers
| CAS Number | 223445-67-8 |
|---|---|
| SMILES | C[C@H]1CC(C[C@@H]1C)(CC(=O)O)CN.Cl |
Product Overview
Atagabalin HCl (CAS 223445-67-8), with molecular formula C10H20ClNO2 and molecular weight 221.12 g/mol. IUPAC: 2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid;hydrochloride.
Chemical Property Profile of Atagabalin HCl
Property Insights of Atagabalin HCl
The XLogP value of 1.894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atagabalin HCl. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Atagabalin HCl. Following Lipinski's Rule of Five, Atagabalin HCl 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 Atagabalin HCl?
The CAS number of Atagabalin HCl is 223445-67-8.
What is the molecular formula of Atagabalin HCl?
The molecular formula of Atagabalin HCl is C10H20ClNO2.
What is the molecular weight of Atagabalin HCl?
The molecular weight of Atagabalin HCl is 221.12 g/mol.
Where can I buy Atagabalin HCl?
You can request a quote for Atagabalin HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atagabalin HCl?
Yes, KEHONG BIO provides custom synthesis services for Atagabalin HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.