1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride
TL;DR: 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride (CAS 6278-55-3) is a chemical compound with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-phenylethanamine;hydrochloride
Also Known As: alpha-(Phenylmethyl)-1,3-benzodioxole-5-methanamine hydrochloride, 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride, 1-(1,3-benzodioxol-5-yl)-2-phenylethanamine hydrochloride, 1-(1,3-benzodioxol-5-yl)-2-phenylethanamine,hydrochloride, RefChem:1052712
| Molecular Formula | C15H16ClNO2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 3.0796 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.08694 |
| Heavy Atoms | 19 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 6278-55-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3)N.Cl |
| InChIKey | FNQIXVNAHAIISD-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride (CAS 6278-55-3), with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-phenylethanamine;hydrochloride.
Chemical Property Profile of 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride
Property Insights of 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride
The XLogP value of 3.0796 indicates that 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride 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 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride?
The CAS number of 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride is 6278-55-3.
What is the molecular formula of 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride?
The molecular formula of 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride is C15H16ClNO2.
What is the molecular weight of 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride?
The molecular weight of 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride is 277.09 g/mol.
Where can I buy 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride?
You can request a quote for 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-methanamine, alpha-(phenylmethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.