Megastachine
TL;DR: Megastachine (CAS 72049-07-1) is a chemical compound with molecular formula C20H29NO3 and molecular weight 331.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,6R,7R,10R,11S,12R)-10-[(1R)-1-hydroxyethyl]-4-methyl-8-oxa-16-azapentacyclo[10.7.0.01,6.02,16.07,11]nonadec-2-en-9-one
Also Known As: Megastachine, J2.771.291F, (1R,4R,6R,7R,10R,11S,12R)-10-[(1R)-1-hydroxyethyl]-4-methyl-8-oxa-16-azapentacyclo[10.7.0.01,6.02,16.07,11]nonadec-2-en-9-one, (4R,6R,7aR,7bR,10R,10aS,10bR,10cR)-1,2,3,6,7,7a,7b,10,10a,10b-Decahydro-10-[(1R)-1-hydroxyethyl]-6-methyl-4,10c-propano-9H-furo[2 ,3 :4,5]cyclopenta[1,2,3-ef][1]benzoazepine-9-one, (6R,7aR,7bR,10R,10aS,10bR,10cR)-10-[(1R)-1-Hydroxyethyl]-6-methyl-1,2,3,6,7,7a,7b,10,10a,10b-decahydro-9H-4,10c-propanofuro[3',2':2,3]indeno[7,1-bc]azepin-9-one
| Molecular Formula | C20H29NO3 |
|---|---|
| Molecular Weight | 331.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.21475 |
| Heavy Atoms | 24 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 72049-07-1 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@H]3[C@@H]([C@@H]4[C@]25CCCN(C5=C1)CCC4)[C@@H](C(=O)O3)[C@@H](C)O |
| InChIKey | PONWUQDRLFXKSM-GSNPUYSQSA-N |
Product Overview
Megastachine (CAS 72049-07-1), with molecular formula C20H29NO3 and molecular weight 331.21 g/mol. IUPAC: (1R,4R,6R,7R,10R,11S,12R)-10-[(1R)-1-hydroxyethyl]-4-methyl-8-oxa-16-azapentacyclo[10.7.0.01,6.02,16.07,11]nonadec-2-en-9-one.
Chemical Property Profile of Megastachine
Property Insights of Megastachine
The XLogP value of 3.2 indicates that Megastachine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Megastachine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Megastachine 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 Megastachine?
The CAS number of Megastachine is 72049-07-1.
What is the molecular formula of Megastachine?
The molecular formula of Megastachine is C20H29NO3.
What is the molecular weight of Megastachine?
The molecular weight of Megastachine is 331.21 g/mol.
Where can I buy Megastachine?
You can request a quote for Megastachine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Megastachine?
Yes, KEHONG BIO provides custom synthesis services for Megastachine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.