Desmodimine
TL;DR: Desmodimine (CAS 150036-83-2) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-4,5-dimethyl-2-oxo-1,4,5,6-tetrahydropyrrolo[1,2-d][1,4]oxazocine-9-carbaldehyde
Also Known As: Desmodimine, 4H-Pyrrolo[1,2-d][1,4]oxazocine-9-carboxaldehyde,1,2,5,6-tetrahydro-6-hydroxy-4,5-dimethyl-2-oxo-, (4R,5R,6S)-rel-, 6-hydroxy-4,5-dimethyl-2-oxo-1,4,5,6-tetrahydropyrrolo[1,2-d][1,4]oxazocine-9-carbaldehyde
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 0.9154 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 451.35815 |
Chemical Identifiers
| CAS Number | 150036-83-2 |
|---|---|
| SMILES | CC1C(OC(=O)CN2C(=CC=C2C1O)C=O)C |
Product Overview
Desmodimine (CAS 150036-83-2), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 6-hydroxy-4,5-dimethyl-2-oxo-1,4,5,6-tetrahydropyrrolo[1,2-d][1,4]oxazocine-9-carbaldehyde.
Chemical Property Profile of Desmodimine
Property Insights of Desmodimine
The XLogP value of 0.9154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmodimine. The TPSA of 68.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmodimine. Following Lipinski's Rule of Five, Desmodimine 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 Desmodimine?
The CAS number of Desmodimine is 150036-83-2.
What is the molecular formula of Desmodimine?
The molecular formula of Desmodimine is C12H15NO4.
What is the molecular weight of Desmodimine?
The molecular weight of Desmodimine is 237.10 g/mol.
Where can I buy Desmodimine?
You can request a quote for Desmodimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmodimine?
Yes, KEHONG BIO provides custom synthesis services for Desmodimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.