mollicellin H
TL;DR: mollicellin H (CAS 68455-09-4) is a chemical compound with molecular formula C21H20O6 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,9-dihydroxy-4,7-dimethyl-3-(3-methylbut-2-enyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde
Also Known As: mollicellin H, J2.563.462D, 2,9-dihydroxy-4,7-dimethyl-3-(3-methylbut-2-enyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde, 11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde, 3,7-dihydroxy-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11-oxo-, 3,7-Dihydroxy-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde
| Molecular Formula | C21H20O6 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.12598 |
| Heavy Atoms | 27 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 68455-09-4 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C=C(C(=C3C)CC=C(C)C)O)C=O)O |
| InChIKey | FMQCQXQSBWELFR-UHFFFAOYSA-N |
Product Overview
mollicellin H (CAS 68455-09-4), with molecular formula C21H20O6 and molecular weight 368.13 g/mol. IUPAC: 2,9-dihydroxy-4,7-dimethyl-3-(3-methylbut-2-enyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde.
Chemical Property Profile of mollicellin H
Property Insights of mollicellin H
The XLogP value of 4.9 indicates that mollicellin H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for mollicellin H. Following Lipinski's Rule of Five, mollicellin H has 2 hydrogen bond donor(s) and 6 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 H?
The CAS number of mollicellin H is 68455-09-4.
What is the molecular formula of mollicellin H?
The molecular formula of mollicellin H is C21H20O6.
What is the molecular weight of mollicellin H?
The molecular weight of mollicellin H is 368.13 g/mol.
Where can I buy mollicellin H?
You can request a quote for mollicellin H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for mollicellin H?
Yes, KEHONG BIO provides custom synthesis services for mollicellin H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.