Millettin
TL;DR: Millettin (CAS 78338-36-0) is a chemical compound with molecular formula C25H22O6 and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,21-dihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),3(11),4(9),5,7,14,18,20-octaen-2-one
Also Known As: Millettin, Argipressin, alanh2(9)-, 2H,6H-Benzofuro(2,3-b)pyrano(3,2-g)(1)benzopyran-6-one,5,9-dihydroxy-2,2-dimethyl-13-(3-methyl-2-butenyl)-, 5,9-dihydroxy-2,2-dimethyl-13-(3-methyl-2-butenyl)-2h,6h-benzofuro[2,3-b]pyrano[3,2-g][1]benzopyran-6-one, 5,9-Dihydroxy-2,2-dimethyl-13-(3-methylbut-2-en-1-yl)-2H,6H-benzo[4,5]furo[3,2-e]benzo[1,2-b:5,4-b']dipyran-6-one
| Molecular Formula | C25H22O6 |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.14163 |
| Heavy Atoms | 31 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 78338-36-0 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C5=C(O4)C=C(C=C5)O)O)C=CC(O2)(C)C)C |
| InChIKey | ZRHZEZGNBCGSBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Millettin (CAS 78338-36-0), with molecular formula C25H22O6 and molecular weight 418.14 g/mol. IUPAC: 7,21-dihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),3(11),4(9),5,7,14,18,20-octaen-2-one.
Chemical Property Profile of Millettin
Property Insights of Millettin
The XLogP value of 6.4 indicates that Millettin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Millettin. Following Lipinski's Rule of Five, Millettin has 2 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 Millettin?
The CAS number of Millettin is 78338-36-0.
What is the molecular formula of Millettin?
The molecular formula of Millettin is C25H22O6.
What is the molecular weight of Millettin?
The molecular weight of Millettin is 418.14 g/mol.
Where can I buy Millettin?
You can request a quote for Millettin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Millettin?
Yes, KEHONG BIO provides custom synthesis services for Millettin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.