C14H17ClN2O.ClH.1/2H2O
TL;DR: C14H17ClN2O.ClH.1/2H2O (CAS 64639-94-7) is a chemical compound with molecular formula C14H18Cl2N2O and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride
Also Known As: C14H17ClN2O.ClH.1/2H2O, C14-H17-Cl-N2-O.Cl-H.1/2H2-O, 2-(Diethylaminomethyl)-5-(4-chlorophenyl)oxazole hydrochloride hemihydrate, 5-(4-Chlorophenyl)-N,N-diethyl-2-oxazolemethanamine hydrochloride hydrate (2:2:1), 2-Oxazolemethanamine, 5-(4-chlorophenyl)-N,N-diethyl-, hydrochloride, hydrate (2:2:1)
| Molecular Formula | C14H18Cl2N2O |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 4.2586 |
| Topological Polar Surface Area | 29.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.07962 |
| Heavy Atoms | 19 |
| Complexity | 492.402 |
Chemical Identifiers
| CAS Number | 64639-94-7 |
|---|---|
| SMILES | CCN(CC)CC1=NC=C(O1)C2=CC=C(C=C2)Cl.Cl |
Product Overview
C14H17ClN2O.ClH.1/2H2O (CAS 64639-94-7), with molecular formula C14H18Cl2N2O and molecular weight 300.08 g/mol. IUPAC: N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrochloride.
Chemical Property Profile of C14H17ClN2O.ClH.1/2H2O
Property Insights of C14H17ClN2O.ClH.1/2H2O
The XLogP value of 4.2586 indicates that C14H17ClN2O.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.27 Ų, C14H17ClN2O.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H17ClN2O.ClH.1/2H2O has 0 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 C14H17ClN2O.ClH.1/2H2O?
The CAS number of C14H17ClN2O.ClH.1/2H2O is 64639-94-7.
What is the molecular formula of C14H17ClN2O.ClH.1/2H2O?
The molecular formula of C14H17ClN2O.ClH.1/2H2O is C14H18Cl2N2O.
What is the molecular weight of C14H17ClN2O.ClH.1/2H2O?
The molecular weight of C14H17ClN2O.ClH.1/2H2O is 300.08 g/mol.
Where can I buy C14H17ClN2O.ClH.1/2H2O?
You can request a quote for C14H17ClN2O.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H17ClN2O.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C14H17ClN2O.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.