C15H20N2O.C2H2O4.1/2H2O
TL;DR: C15H20N2O.C2H2O4.1/2H2O (CAS 105310-44-9) is a chemical compound with molecular formula C17H22N2O5 and molecular weight 334.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone;oxalic acid
Also Known As: C15H20N2O.C2H2O4.1/2H2O, cis-1-((2-(Aminomethyl)-1-phenylcyclopropyl)carbonyl)pyrrolidine oxalate hydrate (2:2:1), C15-H20-N2-O.C2-H2-O4.1/2H2-O, Pyrrolidine, 1-((2-(aminomethyl)-1-phenylcyclopropyl)carbonyl)-, cis-, oxalate, hydrate (2:2:1), [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone; oxalic acid
| Molecular Formula | C17H22N2O5 |
|---|---|
| Molecular Weight | 334.15 g/mol |
| LogP | 0.681 |
| Topological Polar Surface Area | 120.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.15286 |
| Heavy Atoms | 24 |
| Complexity | 600.66675 |
Chemical Identifiers
| CAS Number | 105310-44-9 |
|---|---|
| SMILES | C1CCN(C1)C(=O)[C@@]2(C[C@H]2CN)C3=CC=CC=C3.C(=O)(C(=O)O)O |
Product Overview
C15H20N2O.C2H2O4.1/2H2O (CAS 105310-44-9), with molecular formula C17H22N2O5 and molecular weight 334.15 g/mol. IUPAC: [(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone;oxalic acid.
Chemical Property Profile of C15H20N2O.C2H2O4.1/2H2O
Property Insights of C15H20N2O.C2H2O4.1/2H2O
The XLogP value of 0.681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H20N2O.C2H2O4.1/2H2O. The TPSA of 120.93 Ų falls within the moderate polarity range, balancing permeability and solubility for C15H20N2O.C2H2O4.1/2H2O. Following Lipinski's Rule of Five, C15H20N2O.C2H2O4.1/2H2O has 3 hydrogen bond donor(s) and 4 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 C15H20N2O.C2H2O4.1/2H2O?
The CAS number of C15H20N2O.C2H2O4.1/2H2O is 105310-44-9.
What is the molecular formula of C15H20N2O.C2H2O4.1/2H2O?
The molecular formula of C15H20N2O.C2H2O4.1/2H2O is C17H22N2O5.
What is the molecular weight of C15H20N2O.C2H2O4.1/2H2O?
The molecular weight of C15H20N2O.C2H2O4.1/2H2O is 334.15 g/mol.
Where can I buy C15H20N2O.C2H2O4.1/2H2O?
You can request a quote for C15H20N2O.C2H2O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H20N2O.C2H2O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C15H20N2O.C2H2O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.