(3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine
TL;DR: (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine (CAS 330833-79-9) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine
Also Known As: BAS 02081447, 3-Benzo[1,3]dioxol-5-yl-3-phenyl-propylamine, (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.896 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 553.9303 |
Chemical Identifiers
| CAS Number | 330833-79-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)[C@@H](CCN)C3=CC=CC=C3 |
Product Overview
(3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine (CAS 330833-79-9), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine.
Chemical Property Profile of (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine
Property Insights of (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine
The XLogP value of 2.896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine. With a topological polar surface area (TPSA) of 44.48 Ų, (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine 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 (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine?
The CAS number of (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine is 330833-79-9.
What is the molecular formula of (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine?
The molecular formula of (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine is C16H17NO2.
What is the molecular weight of (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine?
The molecular weight of (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine is 255.13 g/mol.
Where can I buy (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine?
You can request a quote for (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.