Monodemethylmethoxychlor
TL;DR: Monodemethylmethoxychlor (CAS 106062-86-6) is a chemical compound with molecular formula C15H13Cl3O2 and molecular weight 330.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenol
Also Known As: Monodemethylmethoxychlor, monohydroxymethoxychlor, mono-hydroxy MXC, mono-OH, mono-hydroxy methoxychlor
| Molecular Formula | C15H13Cl3O2 |
|---|---|
| Molecular Weight | 330.00 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.9981 |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 106062-86-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)O)C(Cl)(Cl)Cl |
| InChIKey | BUZUQNXGKRJIJT-UHFFFAOYSA-N |
Product Overview
Monodemethylmethoxychlor (CAS 106062-86-6), with molecular formula C15H13Cl3O2 and molecular weight 330.00 g/mol. IUPAC: 4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenol.
Chemical Property Profile of Monodemethylmethoxychlor
Property Insights of Monodemethylmethoxychlor
The XLogP value of 4.8 indicates that Monodemethylmethoxychlor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Monodemethylmethoxychlor exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Monodemethylmethoxychlor 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 Monodemethylmethoxychlor?
The CAS number of Monodemethylmethoxychlor is 106062-86-6.
What is the molecular formula of Monodemethylmethoxychlor?
The molecular formula of Monodemethylmethoxychlor is C15H13Cl3O2.
What is the molecular weight of Monodemethylmethoxychlor?
The molecular weight of Monodemethylmethoxychlor is 330.00 g/mol.
Where can I buy Monodemethylmethoxychlor?
You can request a quote for Monodemethylmethoxychlor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monodemethylmethoxychlor?
Yes, KEHONG BIO provides custom synthesis services for Monodemethylmethoxychlor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.