9-epi-7-N-Dimethylaminomethylenemitomycin D
TL;DR: 9-epi-7-N-Dimethylaminomethylenemitomycin D (CAS 105616-81-7) is a chemical compound with molecular formula C18H23N5O5 and molecular weight 389.16992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4S,6S,7R,8S)-11-(dimethylaminomethylideneamino)-7-hydroxy-5,12-dimethyl-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: 9-epi-7-N-Dimethylaminomethylenemitomycin D, Mitomycin D, 9-epi-7-N-dimethylaminomethylene-, 7-N-Dimethylaminomethylenemitomycin D, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-6-(((dimethylamino)methylene)amino)-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-1,5-dimethyl-, (1aS-(1a-alpha,8-beta,8a-alpha,8b-alpha))-
Technical Specifications
| Molecular Formula | C18H23N5O5 |
| Molecular Weight | 389.16992 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.16992 Da |
| Heavy Atoms | 28 |
| Complexity | 891.0 |
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)O)N4C)N=CN(C)C |
| InChIKey | KOZLKHPNLSMUOI-MIYKDEQVSA-N |
Chemical Property Profile of 9-epi-7-N-Dimethylaminomethylenemitomycin D
Property Insights of 9-epi-7-N-Dimethylaminomethylenemitomycin D
The XLogP value of -0.6 indicates that 9-epi-7-N-Dimethylaminomethylenemitomycin D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-epi-7-N-Dimethylaminomethylenemitomycin D. Following Lipinski's Rule of Five, 9-epi-7-N-Dimethylaminomethylenemitomycin D 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
What is the CAS number of 9-epi-7-N-Dimethylaminomethylenemitomycin D?
The CAS number of 9-epi-7-N-Dimethylaminomethylenemitomycin D is 105616-81-7.
What is the molecular formula of 9-epi-7-N-Dimethylaminomethylenemitomycin D?
The molecular formula of 9-epi-7-N-Dimethylaminomethylenemitomycin D is C18H23N5O5.
What is the molecular weight of 9-epi-7-N-Dimethylaminomethylenemitomycin D?
The molecular weight of 9-epi-7-N-Dimethylaminomethylenemitomycin D is 389.16992 g/mol.
Where can I buy 9-epi-7-N-Dimethylaminomethylenemitomycin D?
You can request a quote for 9-epi-7-N-Dimethylaminomethylenemitomycin D directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-epi-7-N-Dimethylaminomethylenemitomycin D?
Yes, CoreyChem provides custom synthesis services for 9-epi-7-N-Dimethylaminomethylenemitomycin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.