4-O-Methyldiploicin
TL;DR: 4-O-Methyldiploicin (CAS 19314-80-8) is a chemical compound with molecular formula C17H12Cl4O5 and molecular weight 435.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,8,10-tetrachloro-3,9-dimethoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Also Known As: 4-O-Methyldiploicin, DIPLOICIN METHYL ETHER, KBio2_007486, DivK1c_006751, KBio1_001695
| Molecular Formula | C17H12Cl4O5 |
|---|---|
| Molecular Weight | 435.94 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.94388 |
| Heavy Atoms | 26 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 19314-80-8 |
|---|---|
| SMILES | CC1=C2C(=C(C(=C1Cl)OC)Cl)OC3=C(C(=C(C(=C3OC2=O)Cl)OC)Cl)C |
| InChIKey | PPFWMXVOIABRTP-UHFFFAOYSA-N |
Product Overview
4-O-Methyldiploicin (CAS 19314-80-8), with molecular formula C17H12Cl4O5 and molecular weight 435.94 g/mol. IUPAC: 2,4,8,10-tetrachloro-3,9-dimethoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one.
Chemical Property Profile of 4-O-Methyldiploicin
Property Insights of 4-O-Methyldiploicin
The XLogP value of 6.1 indicates that 4-O-Methyldiploicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 4-O-Methyldiploicin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-O-Methyldiploicin has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-O-Methyldiploicin?
The CAS number of 4-O-Methyldiploicin is 19314-80-8.
What is the molecular formula of 4-O-Methyldiploicin?
The molecular formula of 4-O-Methyldiploicin is C17H12Cl4O5.
What is the molecular weight of 4-O-Methyldiploicin?
The molecular weight of 4-O-Methyldiploicin is 435.94 g/mol.
Where can I buy 4-O-Methyldiploicin?
You can request a quote for 4-O-Methyldiploicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Methyldiploicin?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Methyldiploicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.