Isomammein
TL;DR: Isomammein (CAS 478-67-1) is a chemical compound with molecular formula C22H28O5 and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-propylchromen-2-one
Also Known As: Isomammein, Mammea B/AA, Coumarin, 5,7-dihydroxy-6-isovaleryl-8-(3-methyl-2-butenyl)-4-propyl-, 4-propyl-5,7-dihydroxy-6-8-2h-1-benzopyran-2-one, 5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-propylchromen-2-one
| Molecular Formula | C22H28O5 |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 4.8942 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.19366 |
| Heavy Atoms | 27 |
| Complexity | 943.55505 |
Chemical Identifiers
| CAS Number | 478-67-1 |
|---|---|
| SMILES | CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O |
Product Overview
Isomammein (CAS 478-67-1), with molecular formula C22H28O5 and molecular weight 372.19 g/mol. IUPAC: 5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-propylchromen-2-one.
Chemical Property Profile of Isomammein
Property Insights of Isomammein
The XLogP value of 4.8942 indicates that Isomammein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Isomammein. Following Lipinski's Rule of Five, Isomammein has 2 hydrogen bond donor(s) and 5 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 Isomammein?
The CAS number of Isomammein is 478-67-1.
What is the molecular formula of Isomammein?
The molecular formula of Isomammein is C22H28O5.
What is the molecular weight of Isomammein?
The molecular weight of Isomammein is 372.19 g/mol.
Where can I buy Isomammein?
You can request a quote for Isomammein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomammein?
Yes, KEHONG BIO provides custom synthesis services for Isomammein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.