异桑橙素二甲醚
TL;DR: 异桑橙素二甲醚 (CAS 91971-03-8) is a chemical compound with molecular formula C27H28O6 and molecular weight 448.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异桑橙素二甲醚
5-(3,4-dimethoxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,7,13,17-pentaen-6-one
Also Known As: Isopomiferin dimethyl ether, Isopomiferin dimethylether, ISOPOMIFERIN, DIMETHYL ETHER, (3,4-dimethoxyphenyl)-tetramethyl-[?]one, 11-(3,4-Dimethoxyphenyl)-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H,12H-dipyrano(2,3-f:2',3'-h)chromen-12-one
| Molecular Formula | C27H28O6 |
|---|---|
| Molecular Weight | 448.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.1886 |
| Heavy Atoms | 33 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 91971-03-8 |
|---|---|
| SMILES | CC1(CCC2=C3C(=C4C(=C2O1)C(=O)C(=CO4)C5=CC(=C(C=C5)OC)OC)C=CC(O3)(C)C)C |
| InChIKey | MIELJMQQHAVDFQ-UHFFFAOYSA-N |
Product Overview
异桑橙素二甲醚 (CAS 91971-03-8), with molecular formula C27H28O6 and molecular weight 448.19 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,7,13,17-pentaen-6-one.
Chemical Property Profile of 异桑橙素二甲醚
Property Insights of 异桑橙素二甲醚
The XLogP value of 5.0 indicates that 异桑橙素二甲醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 异桑橙素二甲醚. Following Lipinski's Rule of Five, 异桑橙素二甲醚 has 0 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 异桑橙素二甲醚?
The CAS number of 异桑橙素二甲醚 is 91971-03-8.
What is the molecular formula of 异桑橙素二甲醚?
The molecular formula of 异桑橙素二甲醚 is C27H28O6.
What is the molecular weight of 异桑橙素二甲醚?
The molecular weight of 异桑橙素二甲醚 is 448.19 g/mol.
Where can I buy 异桑橙素二甲醚?
You can request a quote for 异桑橙素二甲醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异桑橙素二甲醚?
Yes, KEHONG BIO provides custom synthesis services for 异桑橙素二甲醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.