1a-Demethylmitomycin K
TL;DR: 1a-Demethylmitomycin K (CAS 74422-30-3) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,11-dimethoxy-12-methyl-8-methylidene-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-10,13-dione
Also Known As: 1a-Demethylmitomycin K, 6,8a-Dimethoxy-5-methyl-8-methylidene-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6,8a-Dimethoxy-5-methyl-8-methylidene-1,1a,2,8,8a,8b-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
| Molecular Formula | C15H16N2O4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | -0.1188 |
| Topological Polar Surface Area | 77.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.111 |
| Heavy Atoms | 21 |
| Complexity | 689.7872 |
Chemical Identifiers
| CAS Number | 74422-30-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2=C)OC)N4)OC |
Product Overview
1a-Demethylmitomycin K (CAS 74422-30-3), with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol. IUPAC: 7,11-dimethoxy-12-methyl-8-methylidene-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-10,13-dione.
Chemical Property Profile of 1a-Demethylmitomycin K
Property Insights of 1a-Demethylmitomycin K
The XLogP value of -0.1188 indicates that 1a-Demethylmitomycin K is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1a-Demethylmitomycin K. Following Lipinski's Rule of Five, 1a-Demethylmitomycin K has 1 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 1a-Demethylmitomycin K?
The CAS number of 1a-Demethylmitomycin K is 74422-30-3.
What is the molecular formula of 1a-Demethylmitomycin K?
The molecular formula of 1a-Demethylmitomycin K is C15H16N2O4.
What is the molecular weight of 1a-Demethylmitomycin K?
The molecular weight of 1a-Demethylmitomycin K is 288.11 g/mol.
Where can I buy 1a-Demethylmitomycin K?
You can request a quote for 1a-Demethylmitomycin K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1a-Demethylmitomycin K?
Yes, KEHONG BIO provides custom synthesis services for 1a-Demethylmitomycin K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.