Mollicellin C
TL;DR: Mollicellin C (CAS 68436-82-8) is a chemical compound with molecular formula C22H20O8 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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 C, MOLLICELLINE C, Calcium, 2-ethylhexanoate tall-oil complexes, J2.770.217A, 11H-Dibenzo(b,e)(1,4)dioxepin-4-carboxaldehyde, 3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methyl-1-oxo-2-butenyl)-11-oxo-
| Molecular Formula | C22H20O8 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1158 |
| Heavy Atoms | 30 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 68436-82-8 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3O)OC)C(=O)C=C(C)C)C)C=O)O |
| InChIKey | RPSLZGPKLQLZGH-UHFFFAOYSA-N |
Product Overview
Mollicellin C (CAS 68436-82-8), with molecular formula C22H20O8 and molecular weight 412.12 g/mol. IUPAC: 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 C
Property Insights of Mollicellin C
The XLogP value of 4.1 indicates that Mollicellin C 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 C. Following Lipinski's Rule of Five, Mollicellin C 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 C?
The CAS number of Mollicellin C is 68436-82-8.
What is the molecular formula of Mollicellin C?
The molecular formula of Mollicellin C is C22H20O8.
What is the molecular weight of Mollicellin C?
The molecular weight of Mollicellin C is 412.12 g/mol.
Where can I buy Mollicellin C?
You can request a quote for Mollicellin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mollicellin C?
Yes, KEHONG BIO provides custom synthesis services for Mollicellin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.