1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine
TL;DR: 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine (CAS 500221-75-0) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine
Also Known As: BB_NC-0970, Benzo[1,3]dioxol-5-ylmethyl-thiophen-2-ylmethyl-amine, 1,3-Benzodioxole-5-methanamine, N-(2-thienylmethyl)-, 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine, N-(2-Thienylmethyl)-1,3-benzodioxole-5-methanamine
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.7666 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 496.1255 |
Chemical Identifiers
| CAS Number | 500221-75-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CS3 |
Product Overview
1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine (CAS 500221-75-0), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine
Property Insights of 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine
The XLogP value of 2.7666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine. With a topological polar surface area (TPSA) of 30.49 Ų, 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine has 1 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-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine?
The CAS number of 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine is 500221-75-0.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine is C13H13NO2S.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine is 247.07 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.