Mdl 72638
TL;DR: Mdl 72638 (CAS 100496-46-6) is a chemical compound with molecular formula C10H10Cl2FNO and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[(2,4-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine
Also Known As: Mdl 72638, 2-(2,4-Dichlorophenoxy)methyl-3-fluoroallylamine, (Z)-2-[(2,4-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine, (z)-2-(2,4-dichlorophenoxy)methyl-3-fluoroallylamine, 2-Propen-1-amine, 2-((2,4-dichlorophenoxy)methyl)-3-fluoro-, (Z)-
| Molecular Formula | C10H10Cl2FNO |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | 3.1843 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.01234 |
| Heavy Atoms | 15 |
| Complexity | 368.44006 |
Chemical Identifiers
| CAS Number | 100496-46-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OC/C(=C\F)/CN |
Product Overview
Mdl 72638 (CAS 100496-46-6), with molecular formula C10H10Cl2FNO and molecular weight 249.01 g/mol. IUPAC: (Z)-2-[(2,4-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine.
Chemical Property Profile of Mdl 72638
Property Insights of Mdl 72638
The XLogP value of 3.1843 indicates that Mdl 72638 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.25 Ų, Mdl 72638 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mdl 72638 has 1 hydrogen bond donor(s) and 2 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 Mdl 72638?
The CAS number of Mdl 72638 is 100496-46-6.
What is the molecular formula of Mdl 72638?
The molecular formula of Mdl 72638 is C10H10Cl2FNO.
What is the molecular weight of Mdl 72638?
The molecular weight of Mdl 72638 is 249.01 g/mol.
Where can I buy Mdl 72638?
You can request a quote for Mdl 72638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 72638?
Yes, KEHONG BIO provides custom synthesis services for Mdl 72638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.