1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-
TL;DR: 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)- (CAS 112767-81-4) is a chemical compound with molecular formula C13H22ClNO3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium chloride
Also Known As: 1-BUTANOL, 2-(((3,4-DIMETHOXYPHENYL)METHYL)AMINO)-, HYDROCHLORIDE, (S)-, (3,4-dimethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium chloride, (S)-2-(((3,4-Dimethoxyphenyl)methyl)amino)-1-butanol hydrochloride, (3,4-dimethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium, (R)-2-(((3,4-Dimethoxyphenyl)methyl)amino)-1-butanol hydrochloride
| Molecular Formula | C13H22ClNO3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | -2.46 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.1288 |
| Heavy Atoms | 18 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 112767-81-4 |
|---|---|
| SMILES | CC[C@H](CO)[NH2+]CC1=CC(=C(C=C1)OC)OC.[Cl-] |
| InChIKey | JUNPRUKHHLAGSQ-RFVHGSKJSA-N |
Product Overview
1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)- (CAS 112767-81-4), with molecular formula C13H22ClNO3 and molecular weight 275.13 g/mol. IUPAC: (3,4-dimethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium chloride.
Chemical Property Profile of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-
Property Insights of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-
The XLogP value of -2.46 indicates that 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.3 Ų, 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)- has 2 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 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-?
The CAS number of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)- is 112767-81-4.
What is the molecular formula of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-?
The molecular formula of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)- is C13H22ClNO3.
What is the molecular weight of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-?
The molecular weight of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)- is 275.13 g/mol.
Where can I buy 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-?
You can request a quote for 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.