N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine
TL;DR: N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine (CAS 880802-54-0) is a chemical compound with molecular formula C13H13Cl2NOS and molecular weight 301.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
Also Known As: BAS 12421349, N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine, AN-465/42244328, (3,5-Dichloro-2-methoxy-benzyl)-thiophen-2-ylmethyl-amine, N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
| Molecular Formula | C13H13Cl2NOS |
|---|---|
| Molecular Weight | 301.01 g/mol |
| LogP | 4.3533 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.0095 |
| Heavy Atoms | 18 |
| Complexity | 513.95984 |
Chemical Identifiers
| CAS Number | 880802-54-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Cl)Cl)CNCC2=CC=CS2 |
Product Overview
N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine (CAS 880802-54-0), with molecular formula C13H13Cl2NOS and molecular weight 301.01 g/mol. IUPAC: N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-thiophen-2-ylmethanamine.
Chemical Property Profile of N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine
Property Insights of N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine
The XLogP value of 4.3533 indicates that N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)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 N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine?
The CAS number of N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine is 880802-54-0.
What is the molecular formula of N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine?
The molecular formula of N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine is C13H13Cl2NOS.
What is the molecular weight of N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine?
The molecular weight of N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine is 301.01 g/mol.
Where can I buy N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine?
You can request a quote for N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dichloro-2-methoxybenzyl)-N-(2-thienylmethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.