(4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine
TL;DR: (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine (CAS 774547-03-4) is a chemical compound with molecular formula C16H18ClNO2S and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
Also Known As: BAS 09590117, AN-465/42246636, (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine, N-[4-(allyloxy)-3-chloro-5-methoxybenzyl]-N-(2-thienylmethyl)amine, N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
| Molecular Formula | C16H18ClNO2S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 4.2647 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.07468 |
| Heavy Atoms | 21 |
| Complexity | 584.21295 |
Chemical Identifiers
| CAS Number | 774547-03-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNCC2=CC=CS2)Cl)OCC=C |
Product Overview
(4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine (CAS 774547-03-4), with molecular formula C16H18ClNO2S and molecular weight 323.07 g/mol. IUPAC: N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylmethanamine.
Chemical Property Profile of (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine
Property Insights of (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine
The XLogP value of 4.2647 indicates that (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine 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 (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine?
The CAS number of (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine is 774547-03-4.
What is the molecular formula of (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine?
The molecular formula of (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine is C16H18ClNO2S.
What is the molecular weight of (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine?
The molecular weight of (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine is 323.07 g/mol.
Where can I buy (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine?
You can request a quote for (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine?
Yes, KEHONG BIO provides custom synthesis services for (4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiophen-2-ylmethyl-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.