rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine
TL;DR: rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine (CAS 149949-39-3) is a chemical compound with molecular formula C16H16Cl4N2O2 and molecular weight 408.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S)-1,2-bis(2,6-dichloro-3-methoxyphenyl)ethane-1,2-diamine
Also Known As: rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine, (1R,2S)-1,2-bis(2,6-dichloro-3-methoxyphenyl)ethane-1,2-diamine, (1R,2R)-1,2-bis(2,6-dichloro-3-methoxy-phenyl)ethane-1,2-diamine
| Molecular Formula | C16H16Cl4N2O2 |
|---|---|
| Molecular Weight | 408.00 g/mol |
| LogP | 5.0172 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.99658 |
| Heavy Atoms | 24 |
| Complexity | 691.84265 |
Chemical Identifiers
| CAS Number | 149949-39-3 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)Cl)[C@H]([C@H](C2=C(C=CC(=C2Cl)OC)Cl)N)N)Cl |
Product Overview
rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine (CAS 149949-39-3), with molecular formula C16H16Cl4N2O2 and molecular weight 408.00 g/mol. IUPAC: (1R,2S)-1,2-bis(2,6-dichloro-3-methoxyphenyl)ethane-1,2-diamine.
Chemical Property Profile of rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine
Property Insights of rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine
The XLogP value of 5.0172 indicates that rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine. Following Lipinski's Rule of Five, rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine?
The CAS number of rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine is 149949-39-3.
What is the molecular formula of rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine?
The molecular formula of rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine is C16H16Cl4N2O2.
What is the molecular weight of rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine?
The molecular weight of rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine is 408.00 g/mol.
Where can I buy rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine?
You can request a quote for rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine?
Yes, KEHONG BIO provides custom synthesis services for rel-(1R,2S)-1,2-Bis(2,6-dichloro-3-methoxyphenyl)-1,2-ethanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.