7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D
TL;DR: 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D (CAS 105551-81-3) is a chemical compound with molecular formula C21H28N6O5 and molecular weight 444.21 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 N-(dimethylaminomethylidene)carbamate
Also Known As: 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D
| Molecular Formula | C21H28N6O5 |
|---|---|
| Molecular Weight | 444.21 g/mol |
| LogP | -0.7007 |
| Topological Polar Surface Area | 118.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.21213 |
| Heavy Atoms | 32 |
| Complexity | 1012.1504 |
Chemical Identifiers
| CAS Number | 105551-81-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@H]2COC(=O)N=CN(C)C)O)N4C)N=CN(C)C |
Product Overview
7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D (CAS 105551-81-3), with molecular formula C21H28N6O5 and molecular weight 444.21 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 N-(dimethylaminomethylidene)carbamate.
Chemical Property Profile of 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D
Property Insights of 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D
The XLogP value of -0.7007 indicates that 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D. Following Lipinski's Rule of Five, 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D has 1 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,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D?
The CAS number of 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D is 105551-81-3.
What is the molecular formula of 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D?
The molecular formula of 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D is C21H28N6O5.
What is the molecular weight of 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D?
The molecular weight of 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D is 444.21 g/mol.
Where can I buy 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D?
You can request a quote for 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin 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,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D?
Yes, KEHONG BIO provides custom synthesis services for 7-N,N(sup 10)-Bis(dimethylaminomethylene)mitomycin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.