7-Butoxy-7-demethoxymitomycin A
TL;DR: 7-Butoxy-7-demethoxymitomycin A (CAS 56981-64-7) is a chemical compound with molecular formula C19H25N3O6 and molecular weight 391.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S)-11-butoxy-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-Butoxy-7-demethoxymitomycin A, 7-Butoxy-9-(hydroxymethyl)-9a-methoxy-6-methylmitosane carbamate, (6-Butoxy-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, [(8S,8aR)-6-Butoxy-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, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-butoxy-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate
| Molecular Formula | C19H25N3O6 |
|---|---|
| Molecular Weight | 391.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.17435 |
| Heavy Atoms | 28 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 56981-64-7 |
|---|---|
| SMILES | CCCCOC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2CC4C3N4)OC)COC(=O)N)C |
| InChIKey | HIPRYNUWFCDGJY-FWXNFGMDSA-N |
Product Overview
7-Butoxy-7-demethoxymitomycin A (CAS 56981-64-7), with molecular formula C19H25N3O6 and molecular weight 391.17 g/mol. IUPAC: [(7R,8S)-11-butoxy-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-Butoxy-7-demethoxymitomycin A
Property Insights of 7-Butoxy-7-demethoxymitomycin A
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Butoxy-7-demethoxymitomycin A. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Butoxy-7-demethoxymitomycin A. Following Lipinski's Rule of Five, 7-Butoxy-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-Butoxy-7-demethoxymitomycin A?
The CAS number of 7-Butoxy-7-demethoxymitomycin A is 56981-64-7.
What is the molecular formula of 7-Butoxy-7-demethoxymitomycin A?
The molecular formula of 7-Butoxy-7-demethoxymitomycin A is C19H25N3O6.
What is the molecular weight of 7-Butoxy-7-demethoxymitomycin A?
The molecular weight of 7-Butoxy-7-demethoxymitomycin A is 391.17 g/mol.
Where can I buy 7-Butoxy-7-demethoxymitomycin A?
You can request a quote for 7-Butoxy-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-Butoxy-7-demethoxymitomycin A?
Yes, KEHONG BIO provides custom synthesis services for 7-Butoxy-7-demethoxymitomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.