Isomitomycin A
TL;DR: Isomitomycin A (CAS 91917-64-5) is a chemical compound with molecular formula C16H19N3O6 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7,11-dimethoxy-12-methyl-10,13-dioxo-2,6-diazatetracyclo[7.4.0.02,4.03,7]trideca-1(9),11-dien-8-yl)methyl carbamate
Also Known As: Isomitomycin A, AX 2, AX 2 (neoplasm inhibitor), (2a,5-Dimethoxy-6-methyl-4,7-dioxo-1,2,2a,3,4,7,7c,7d-octahydro-2,7b-diazabenzo[f]cyclopropa[cd]inden-3-yl)methyl hydrogen carbonimidate, 2,7b-Diazabenzo(f)cycloprop(cd)indene-4,7-dione, 1,2,2a,3,7c,7d-hexahydro-3-(((aminocarbonyl)oxy)methyl)-2a,5-dimethoxy-6-methyl-, (2aR-(2a-alpha,3-alpha,7c-alpha,7d-alpha))-
| Molecular Formula | C16H19N3O6 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | -0.9635 |
| Topological Polar Surface Area | 119.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.12738 |
| Heavy Atoms | 25 |
| Complexity | 771.8317 |
Chemical Identifiers
| CAS Number | 91917-64-5 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C4C3C(C2COC(=O)N)(NC4)OC)OC |
Product Overview
Isomitomycin A (CAS 91917-64-5), with molecular formula C16H19N3O6 and molecular weight 349.13 g/mol. IUPAC: (7,11-dimethoxy-12-methyl-10,13-dioxo-2,6-diazatetracyclo[7.4.0.02,4.03,7]trideca-1(9),11-dien-8-yl)methyl carbamate.
Chemical Property Profile of Isomitomycin A
Property Insights of Isomitomycin A
The XLogP value of -0.9635 indicates that Isomitomycin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Isomitomycin A. Following Lipinski's Rule of Five, Isomitomycin 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 Isomitomycin A?
The CAS number of Isomitomycin A is 91917-64-5.
What is the molecular formula of Isomitomycin A?
The molecular formula of Isomitomycin A is C16H19N3O6.
What is the molecular weight of Isomitomycin A?
The molecular weight of Isomitomycin A is 349.13 g/mol.
Where can I buy Isomitomycin A?
You can request a quote for Isomitomycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomitomycin A?
Yes, KEHONG BIO provides custom synthesis services for Isomitomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.