EINECS 259-029-4
TL;DR: EINECS 259-029-4 (CAS 54212-89-4) is a chemical compound with molecular formula C12H20ClNO2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S)-2-[2-hydroxyethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride
Also Known As: EINECS 259-029-4, (R-(R*,S*))-alpha-(1-((2-Hydroxyethyl)methylamino)ethyl)benzyl alcohol hydrochloride, [r-]-alpha-[1-[methylamino]ethyl]benzylalcoholhydrochloride, [R- ]-alpha-[1-[ methylamino]ethyl]benzylalcoholhydrochloride, [R-(R*,S*)]-alpha-[1-[(2-hydroxyethyl)methylamino]ethyl]benzyl alcohol hydrochloride
| Molecular Formula | C12H20ClNO2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 1.4544 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.11826 |
| Heavy Atoms | 16 |
| Complexity | 281.60706 |
Chemical Identifiers
| CAS Number | 54212-89-4 |
|---|---|
| SMILES | C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)CCO.Cl |
Product Overview
EINECS 259-029-4 (CAS 54212-89-4), with molecular formula C12H20ClNO2 and molecular weight 245.12 g/mol. IUPAC: (1R,2S)-2-[2-hydroxyethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride.
Chemical Property Profile of EINECS 259-029-4
Property Insights of EINECS 259-029-4
The XLogP value of 1.4544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 259-029-4. With a topological polar surface area (TPSA) of 43.7 Ų, EINECS 259-029-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 259-029-4 has 2 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 EINECS 259-029-4?
The CAS number of EINECS 259-029-4 is 54212-89-4.
What is the molecular formula of EINECS 259-029-4?
The molecular formula of EINECS 259-029-4 is C12H20ClNO2.
What is the molecular weight of EINECS 259-029-4?
The molecular weight of EINECS 259-029-4 is 245.12 g/mol.
Where can I buy EINECS 259-029-4?
You can request a quote for EINECS 259-029-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-029-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-029-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.