N-Methylisodemecolcine
TL;DR: N-Methylisodemecolcine (CAS 74483-61-7) is a chemical compound with molecular formula C22H27NO5 and molecular weight 385.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-7-(dimethylamino)-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one
Also Known As: N-Methylisodemecolcine, (7S)-7-(dimethylamino)-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one, (7S)-7-(Dimethylamino)-1,2,3,9-tetramethoxy-6,7-dihydrobenzo[a]heptalen-10(5H)-one, RefChem:364634
| Molecular Formula | C22H27NO5 |
|---|---|
| Molecular Weight | 385.19 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.18893 |
| Heavy Atoms | 28 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 74483-61-7 |
|---|---|
| SMILES | CN(C)[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C(=O)C=C3)OC)OC)OC)OC |
| InChIKey | GJTQQICMBRTGJT-INIZCTEOSA-N |
Product Overview
N-Methylisodemecolcine (CAS 74483-61-7), with molecular formula C22H27NO5 and molecular weight 385.19 g/mol. IUPAC: (7S)-7-(dimethylamino)-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one.
Chemical Property Profile of N-Methylisodemecolcine
Property Insights of N-Methylisodemecolcine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylisodemecolcine. With a topological polar surface area (TPSA) of 57.2 Ų, N-Methylisodemecolcine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylisodemecolcine 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-Methylisodemecolcine?
The CAS number of N-Methylisodemecolcine is 74483-61-7.
What is the molecular formula of N-Methylisodemecolcine?
The molecular formula of N-Methylisodemecolcine is C22H27NO5.
What is the molecular weight of N-Methylisodemecolcine?
The molecular weight of N-Methylisodemecolcine is 385.19 g/mol.
Where can I buy N-Methylisodemecolcine?
You can request a quote for N-Methylisodemecolcine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylisodemecolcine?
Yes, KEHONG BIO provides custom synthesis services for N-Methylisodemecolcine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.