C16H26N2O.2C2H2O4.1/2H2O
TL;DR: C16H26N2O.2C2H2O4.1/2H2O (CAS 126002-27-5) is a chemical compound with molecular formula C15H26Cl2N2O and molecular weight 320.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
Also Known As: C16H26N2O.2C2H2O4.1/2H2O, N,alpha-Dimethyl-4-(2-(1-pyrrolidinyl)ethoxy)benzeneethanamine ethanedioate hydrate (2:4:1), Benzeneethanamine, N,alpha-dimethyl-4-(2-(1-pyrrolidinyl)ethoxy)-, ethanedioate, hydrate (2:4:1), C16-H26-N2-O.2C2-H2-O4.1/2H2-O, 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine dihydrochloride
| Molecular Formula | C15H26Cl2N2O |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 2.8945 |
| Topological Polar Surface Area | 38.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.1422 |
| Heavy Atoms | 20 |
| Complexity | 351.3961 |
Chemical Identifiers
| CAS Number | 126002-27-5 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)OCCN2CCCC2)N.Cl.Cl |
Product Overview
C16H26N2O.2C2H2O4.1/2H2O (CAS 126002-27-5), with molecular formula C15H26Cl2N2O and molecular weight 320.14 g/mol. IUPAC: 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride.
Chemical Property Profile of C16H26N2O.2C2H2O4.1/2H2O
Property Insights of C16H26N2O.2C2H2O4.1/2H2O
The XLogP value of 2.8945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H26N2O.2C2H2O4.1/2H2O. With a topological polar surface area (TPSA) of 38.49 Ų, C16H26N2O.2C2H2O4.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H26N2O.2C2H2O4.1/2H2O 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 C16H26N2O.2C2H2O4.1/2H2O?
The CAS number of C16H26N2O.2C2H2O4.1/2H2O is 126002-27-5.
What is the molecular formula of C16H26N2O.2C2H2O4.1/2H2O?
The molecular formula of C16H26N2O.2C2H2O4.1/2H2O is C15H26Cl2N2O.
What is the molecular weight of C16H26N2O.2C2H2O4.1/2H2O?
The molecular weight of C16H26N2O.2C2H2O4.1/2H2O is 320.14 g/mol.
Where can I buy C16H26N2O.2C2H2O4.1/2H2O?
You can request a quote for C16H26N2O.2C2H2O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H26N2O.2C2H2O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C16H26N2O.2C2H2O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.