Mollicellin A
TL;DR: Mollicellin A (CAS 68455-06-1) is a chemical compound with molecular formula C21H18O7 and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde
Also Known As: Mollicellin A, 8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde, 2H,11H-1-Benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde, 3,4-dihydro-8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-, 2H,11H-[1,4]Benzodioxepino[2,3-g]-1-benzopyran-7-carboxaldehyde, 3,4-dihydro-8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-, 3,4-Dihydro-8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-1-benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde
| Molecular Formula | C21H18O7 |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 382.10526 |
| Heavy Atoms | 28 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 68455-06-1 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C4C(=O)CC(OC4=C3)(C)C)C)C=O)O |
| InChIKey | UGFXPOLXTFFCRX-UHFFFAOYSA-N |
Product Overview
Mollicellin A (CAS 68455-06-1), with molecular formula C21H18O7 and molecular weight 382.11 g/mol. IUPAC: 8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde.
Chemical Property Profile of Mollicellin A
Property Insights of Mollicellin A
The XLogP value of 3.4 indicates that Mollicellin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Mollicellin A. Following Lipinski's Rule of Five, Mollicellin A has 1 hydrogen bond donor(s) and 7 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 A?
The CAS number of Mollicellin A is 68455-06-1.
What is the molecular formula of Mollicellin A?
The molecular formula of Mollicellin A is C21H18O7.
What is the molecular weight of Mollicellin A?
The molecular weight of Mollicellin A is 382.11 g/mol.
Where can I buy Mollicellin A?
You can request a quote for Mollicellin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mollicellin A?
Yes, KEHONG BIO provides custom synthesis services for Mollicellin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.