Demethoxymitomycin A
TL;DR: Demethoxymitomycin A (CAS 38202-60-7) is a chemical compound with molecular formula C15H17N3O5 and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,6S,7S,8S)-11-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: Demethoxymitomycin A, DMMA, Azirino(2',3':3,4)pyrrolo(1,2-alpha)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(((aminocarbonyl)oxy)methyl)-6-methoxy-5-methyl-, (1aS-(1a-alpha,8-beta,8a-alpha,8b-alpha))-, (6-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, [(1aS,8S,8aS,8bS)-6-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
| Molecular Formula | C15H17N3O5 |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.11682 |
| Heavy Atoms | 23 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 38202-60-7 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@H]3[C@H]2COC(=O)N)N4)OC |
| InChIKey | BZBPVNNDDNONCH-YIKMNZTOSA-N |
Product Overview
Demethoxymitomycin A (CAS 38202-60-7), with molecular formula C15H17N3O5 and molecular weight 319.12 g/mol. IUPAC: [(4S,6S,7S,8S)-11-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 Demethoxymitomycin A
Property Insights of Demethoxymitomycin A
The XLogP value of -0.6 indicates that Demethoxymitomycin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Demethoxymitomycin A. Following Lipinski's Rule of Five, Demethoxymitomycin A has 2 hydrogen bond donor(s) and 7 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 Demethoxymitomycin A?
The CAS number of Demethoxymitomycin A is 38202-60-7.
What is the molecular formula of Demethoxymitomycin A?
The molecular formula of Demethoxymitomycin A is C15H17N3O5.
What is the molecular weight of Demethoxymitomycin A?
The molecular weight of Demethoxymitomycin A is 319.12 g/mol.
Where can I buy Demethoxymitomycin A?
You can request a quote for Demethoxymitomycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethoxymitomycin A?
Yes, KEHONG BIO provides custom synthesis services for Demethoxymitomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.