Mollicellin D
TL;DR: Mollicellin D (CAS 68455-11-8) is a chemical compound with molecular formula C21H21ClO6 and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-2,9-dihydroxy-10-(hydroxymethyl)-4,7-dimethyl-3-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
Also Known As: Mollicellin D, J3.789.066I, 11H-Dibenzo(b,e)(1,4)dioxepin-11-one, 2-chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-butenyl)-, 2-chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methylbut-2-en-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one, 8-chloro-2,9-dihydroxy-10-(hydroxymethyl)-4,7-dimethyl-3-(3-
| Molecular Formula | C21H21ClO6 |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.10266 |
| Heavy Atoms | 28 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 68455-11-8 |
|---|---|
| SMILES | CC1=C(C(=CC2=C1OC(=O)C3=C(C(=C(C(=C3O2)CO)O)Cl)C)O)CC=C(C)C |
| InChIKey | AINFZKIGIQBKDM-UHFFFAOYSA-N |
Product Overview
Mollicellin D (CAS 68455-11-8), with molecular formula C21H21ClO6 and molecular weight 404.10 g/mol. IUPAC: 8-chloro-2,9-dihydroxy-10-(hydroxymethyl)-4,7-dimethyl-3-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one.
Chemical Property Profile of Mollicellin D
Property Insights of Mollicellin D
The XLogP value of 5.2 indicates that Mollicellin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Mollicellin D. Following Lipinski's Rule of Five, Mollicellin D has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mollicellin D?
The CAS number of Mollicellin D is 68455-11-8.
What is the molecular formula of Mollicellin D?
The molecular formula of Mollicellin D is C21H21ClO6.
What is the molecular weight of Mollicellin D?
The molecular weight of Mollicellin D is 404.10 g/mol.
Where can I buy Mollicellin D?
You can request a quote for Mollicellin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mollicellin D?
Yes, KEHONG BIO provides custom synthesis services for Mollicellin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.