7-Heptyloxy-7-demethoxymitomycin A
TL;DR: 7-Heptyloxy-7-demethoxymitomycin A (CAS 56981-66-9) is a chemical compound with molecular formula C22H31N3O6 and molecular weight 433.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S)-11-heptoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: 7-Heptyloxy-7-demethoxymitomycin A, 7-Heptyloxy-9-(hydroxymethyl)-9a-methoxy-6-methylmitosane carbamate, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-heptyloxy-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate, [(8S,8aR)-6-(Heptyloxy)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate, [6-(Heptyloxy)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
| Molecular Formula | C22H31N3O6 |
|---|---|
| Molecular Weight | 433.22 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 433.22128 |
| Heavy Atoms | 31 |
| Complexity | 865.0 |
Chemical Identifiers
| CAS Number | 56981-66-9 |
|---|---|
| SMILES | CCCCCCCOC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2CC4C3N4)OC)COC(=O)N)C |
| InChIKey | KNMGNKQWJPOPQU-VLPVLYFYSA-N |
Product Overview
7-Heptyloxy-7-demethoxymitomycin A (CAS 56981-66-9), with molecular formula C22H31N3O6 and molecular weight 433.22 g/mol. IUPAC: [(7R,8S)-11-heptoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
Chemical Property Profile of 7-Heptyloxy-7-demethoxymitomycin A
Property Insights of 7-Heptyloxy-7-demethoxymitomycin A
The XLogP value of 3.1 indicates that 7-Heptyloxy-7-demethoxymitomycin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Heptyloxy-7-demethoxymitomycin A. Following Lipinski's Rule of Five, 7-Heptyloxy-7-demethoxymitomycin A has 2 hydrogen bond donor(s) and 8 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 7-Heptyloxy-7-demethoxymitomycin A?
The CAS number of 7-Heptyloxy-7-demethoxymitomycin A is 56981-66-9.
What is the molecular formula of 7-Heptyloxy-7-demethoxymitomycin A?
The molecular formula of 7-Heptyloxy-7-demethoxymitomycin A is C22H31N3O6.
What is the molecular weight of 7-Heptyloxy-7-demethoxymitomycin A?
The molecular weight of 7-Heptyloxy-7-demethoxymitomycin A is 433.22 g/mol.
Where can I buy 7-Heptyloxy-7-demethoxymitomycin A?
You can request a quote for 7-Heptyloxy-7-demethoxymitomycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Heptyloxy-7-demethoxymitomycin A?
Yes, KEHONG BIO provides custom synthesis services for 7-Heptyloxy-7-demethoxymitomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.