N-Formylisodemecolcine
TL;DR: N-Formylisodemecolcine (CAS 76265-65-1) is a chemical compound with molecular formula C22H25NO6 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[(7S)-1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
Also Known As: N-Formylisodemecolcine, N-Methyl-N-[(7S)-1,2,3,9-tetramethoxy-10-oxo-5,6,7,10-tetrahydrobenzo[a]heptalen-7-yl]formamide, N-methyl-N-[(7S)-1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
| Molecular Formula | C22H25NO6 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.16818 |
| Heavy Atoms | 29 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 76265-65-1 |
|---|---|
| SMILES | CN(C=O)[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C(=O)C=C3)OC)OC)OC)OC |
| InChIKey | YDDHRDUVACCOFZ-INIZCTEOSA-N |
Product Overview
N-Formylisodemecolcine (CAS 76265-65-1), with molecular formula C22H25NO6 and molecular weight 399.17 g/mol. IUPAC: N-methyl-N-[(7S)-1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide.
Chemical Property Profile of N-Formylisodemecolcine
Property Insights of N-Formylisodemecolcine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Formylisodemecolcine. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Formylisodemecolcine. Following Lipinski's Rule of Five, N-Formylisodemecolcine has 0 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 N-Formylisodemecolcine?
The CAS number of N-Formylisodemecolcine is 76265-65-1.
What is the molecular formula of N-Formylisodemecolcine?
The molecular formula of N-Formylisodemecolcine is C22H25NO6.
What is the molecular weight of N-Formylisodemecolcine?
The molecular weight of N-Formylisodemecolcine is 399.17 g/mol.
Where can I buy N-Formylisodemecolcine?
You can request a quote for N-Formylisodemecolcine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Formylisodemecolcine?
Yes, KEHONG BIO provides custom synthesis services for N-Formylisodemecolcine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.