Mollicellin E
TL;DR: Mollicellin E (CAS 68455-10-7) is a chemical compound with molecular formula C22H19ClO8 and molecular weight 446.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde
Also Known As: Mollicellin E, MOLLICELLINE E, MOLLICELLINE, J2.770.218J, 11H-Dibenzo(b,e)(1,4)dioxepin-4-carboxaldehyde, 2-chloro-3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methyl-1-oxo-2-butenyl)-11-oxo-
| Molecular Formula | C22H19ClO8 |
|---|---|
| Molecular Weight | 446.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.07684 |
| Heavy Atoms | 31 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 68455-10-7 |
|---|---|
| SMILES | CC1=C2C(=C(C(=C1Cl)O)C=O)OC3=C(C(=C(C(=C3C)C(=O)C=C(C)C)OC)O)OC2=O |
| InChIKey | JTGLZOMMRQOKBM-UHFFFAOYSA-N |
Product Overview
Mollicellin E (CAS 68455-10-7), with molecular formula C22H19ClO8 and molecular weight 446.08 g/mol. IUPAC: 8-chloro-4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde.
Chemical Property Profile of Mollicellin E
Property Insights of Mollicellin E
The XLogP value of 4.7 indicates that Mollicellin E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mollicellin E. Following Lipinski's Rule of Five, Mollicellin E has 2 hydrogen bond donor(s) and 8 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 Mollicellin E?
The CAS number of Mollicellin E is 68455-10-7.
What is the molecular formula of Mollicellin E?
The molecular formula of Mollicellin E is C22H19ClO8.
What is the molecular weight of Mollicellin E?
The molecular weight of Mollicellin E is 446.08 g/mol.
Where can I buy Mollicellin E?
You can request a quote for Mollicellin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mollicellin E?
Yes, KEHONG BIO provides custom synthesis services for Mollicellin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.