1'-Methylascorbigen
TL;DR: 1'-Methylascorbigen (CAS 92557-61-4) is a chemical compound with molecular formula C16H17NO6 and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aR,6S,6aS)-3,6,6a-trihydroxy-6-[(1-methylindol-3-yl)methyl]-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
Also Known As: 1'-Methylascorbigen, J1.499.332K, (3s,3as,6s,6ar)-3,3a,6-trihydroxy-3-[(1-methyl-1h-indol-3-yl)methyl]tetrahydrofuro[3,2-b]furan-2(3h)-one(non-preferredname), beta-L-threo-L-glycero-3-Hexulofuranosonic acid, 2-C-((1-methyl-1H-indol-3-yl)methyl)-, gamma-lactone, (3S,3aR,6S,6aS)-3,6,6a-trihydroxy-6-[(1-methylindol-3-yl)methyl]-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
| Molecular Formula | C16H17NO6 |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.1056 |
| Heavy Atoms | 23 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 92557-61-4 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)C[C@]3(C(=O)O[C@H]4[C@@]3(OC[C@@H]4O)O)O |
| InChIKey | WRSYKCVZVFLXJL-XNISGKROSA-N |
Product Overview
1'-Methylascorbigen (CAS 92557-61-4), with molecular formula C16H17NO6 and molecular weight 319.11 g/mol. IUPAC: (3S,3aR,6S,6aS)-3,6,6a-trihydroxy-6-[(1-methylindol-3-yl)methyl]-3,3a-dihydro-2H-furo[3,2-b]furan-5-one.
Chemical Property Profile of 1'-Methylascorbigen
Property Insights of 1'-Methylascorbigen
The XLogP value of -0.5 indicates that 1'-Methylascorbigen is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-Methylascorbigen. Following Lipinski's Rule of Five, 1'-Methylascorbigen has 3 hydrogen bond donor(s) and 6 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 1'-Methylascorbigen?
The CAS number of 1'-Methylascorbigen is 92557-61-4.
What is the molecular formula of 1'-Methylascorbigen?
The molecular formula of 1'-Methylascorbigen is C16H17NO6.
What is the molecular weight of 1'-Methylascorbigen?
The molecular weight of 1'-Methylascorbigen is 319.11 g/mol.
Where can I buy 1'-Methylascorbigen?
You can request a quote for 1'-Methylascorbigen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-Methylascorbigen?
Yes, KEHONG BIO provides custom synthesis services for 1'-Methylascorbigen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.