7-N-Dimethylaminomethylenemitomycin D
TL;DR: 7-N-Dimethylaminomethylenemitomycin D (CAS 105551-80-2) is a chemical compound with molecular formula C18H23N5O5 and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,6S,7R,8R)-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: 7-N-Dimethylaminomethylenemitomycin D, Mitomycin D, 7-N-dimethylaminomethylene-, Methanimidamide, N'-(8-(((aminocarbonyl)oxy)methyl)-1,1a,2,4,7,8,8a,8b-octahydro-8a-hydroxy-1,5-dimethyl-4,7-dioxoazirino(2',3':3,4)pyrrolo(1,2-a)indol-6-yl)-N,N-dimethyl-, (1aS-(1a-alpha,8-alpha,8a-alpha,8b-alpha))-
| Molecular Formula | C18H23N5O5 |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | -1.3319 |
| Topological Polar Surface Area | 128.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.16992 |
| Heavy Atoms | 28 |
| Complexity | 890.7972 |
Chemical Identifiers
| CAS Number | 105551-80-2 |
|---|---|
| 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 |
Product Overview
7-N-Dimethylaminomethylenemitomycin D (CAS 105551-80-2), with molecular formula C18H23N5O5 and molecular weight 389.17 g/mol. IUPAC: [(4S,6S,7R,8R)-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.
Chemical Property Profile of 7-N-Dimethylaminomethylenemitomycin D
Property Insights of 7-N-Dimethylaminomethylenemitomycin D
The XLogP value of -1.3319 indicates that 7-N-Dimethylaminomethylenemitomycin D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-N-Dimethylaminomethylenemitomycin D. Following Lipinski's Rule of Five, 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
Frequently Asked Questions
What is the CAS number of 7-N-Dimethylaminomethylenemitomycin D?
The CAS number of 7-N-Dimethylaminomethylenemitomycin D is 105551-80-2.
What is the molecular formula of 7-N-Dimethylaminomethylenemitomycin D?
The molecular formula of 7-N-Dimethylaminomethylenemitomycin D is C18H23N5O5.
What is the molecular weight of 7-N-Dimethylaminomethylenemitomycin D?
The molecular weight of 7-N-Dimethylaminomethylenemitomycin D is 389.17 g/mol.
Where can I buy 7-N-Dimethylaminomethylenemitomycin D?
You can request a quote for 7-N-Dimethylaminomethylenemitomycin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-N-Dimethylaminomethylenemitomycin D?
Yes, KEHONG BIO provides custom synthesis services for 7-N-Dimethylaminomethylenemitomycin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.