Mollenine A
TL;DR: Mollenine A (CAS 205693-72-7) is a chemical compound with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,7R,9S)-9-(3-methylbut-2-enyl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Also Known As: Mollenine A, (1S,4R,7R,9S)-9-(3-methylbut-2-enyl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione, (1S,4R,7R,9S)-9-(3-methylbut-2-en-1-yl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione, (1S,4R,7R,9S)-9-(3-methylbut-2-enyl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo(7.7.0.02,7.010,15)hexadeca-10,12,14-triene-3,6-dione, (3R)-4bbeta,5,9b,10-Tetrahydro-3alpha-isobutyl-9bbeta-(3-methyl-2-butenyl)-2-oxa-4a,5-diazaindeno[2,1-a]indene-1,4(3H,10abetaH)-dione
| Molecular Formula | C22H28N2O3 |
|---|---|
| Molecular Weight | 368.21 g/mol |
| LogP | 3.6047 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.21 |
| Heavy Atoms | 27 |
| Complexity | 811.5308 |
Chemical Identifiers
| CAS Number | 205693-72-7 |
|---|---|
| SMILES | CC(C)C[C@@H]1C(=O)N2[C@H](C[C@@]3([C@H]2NC4=CC=CC=C43)CC=C(C)C)C(=O)O1 |
Product Overview
Mollenine A (CAS 205693-72-7), with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol. IUPAC: (1S,4R,7R,9S)-9-(3-methylbut-2-enyl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione.
Chemical Property Profile of Mollenine A
Property Insights of Mollenine A
The XLogP value of 3.6047 indicates that Mollenine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, Mollenine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mollenine A has 1 hydrogen bond donor(s) and 4 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 Mollenine A?
The CAS number of Mollenine A is 205693-72-7.
What is the molecular formula of Mollenine A?
The molecular formula of Mollenine A is C22H28N2O3.
What is the molecular weight of Mollenine A?
The molecular weight of Mollenine A is 368.21 g/mol.
Where can I buy Mollenine A?
You can request a quote for Mollenine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mollenine A?
Yes, KEHONG BIO provides custom synthesis services for Mollenine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.