Croomine
TL;DR: Croomine (CAS 71239-66-2) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3'R,9S,9aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
Also Known As: Croomine, (+)-Croomine, (3S,3'R,9S,9aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one, Spiro(furan-2(5H),9'-(9H)pyrrolo(1,2-a)azepin)-5-one, decahydro-4-methyl-3'-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, (3'S-(3'alpha(2R*,4R*),9'alpha(S*),9'aalpha))-, (2S,3 S,4R)-1 ,2 ,3,3 ,4,5 ,6 ,7 ,8 ,9 abeta-Decahydro-4-methyl-3 -[(2S,4S)-tetrahydro-4-methyl-5-oxofuran-2-yl]spiro[furan-2(5H),9 -[9H]pyrrolo[1,2-a]azepine]-5-one
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 2.2767 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 521.151 |
Chemical Identifiers
| CAS Number | 71239-66-2 |
|---|---|
| SMILES | C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@@H]3N2CCCC[C@]34C[C@H](C(=O)O4)C |
Product Overview
Croomine (CAS 71239-66-2), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: (3S,3'R,9S,9aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one.
Chemical Property Profile of Croomine
Property Insights of Croomine
The XLogP value of 2.2767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Croomine. With a topological polar surface area (TPSA) of 55.84 Ų, Croomine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Croomine has 0 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 Croomine?
The CAS number of Croomine is 71239-66-2.
What is the molecular formula of Croomine?
The molecular formula of Croomine is C18H27NO4.
What is the molecular weight of Croomine?
The molecular weight of Croomine is 321.19 g/mol.
Where can I buy Croomine?
You can request a quote for Croomine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Croomine?
Yes, KEHONG BIO provides custom synthesis services for Croomine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.