Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)
TL;DR: Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate) (CAS 80186-82-9) is a chemical compound with molecular formula C12H22N4O6 and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxypropyl)amino]-4-oxobutanoyl]amino]propanimidate
Also Known As: DDDDB, DDDDI, 4-Chlor-3,5-dinitrobenzaldehyd, Methyl 3-((2,3-dihydroxy-4-((3-imino-3-methoxypropyl)amino)-4-oxobutanoyl)amino)propanimidoate, Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)
| Molecular Formula | C12H22N4O6 |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 318.15393 |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 80186-82-9 |
|---|---|
| SMILES | COC(=N)CCNC(=O)C(C(C(=O)NCCC(=N)OC)O)O |
| InChIKey | RWIDPXJFWGFFJJ-UHFFFAOYSA-N |
Product Overview
Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate) (CAS 80186-82-9), with molecular formula C12H22N4O6 and molecular weight 318.15 g/mol. IUPAC: methyl 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxypropyl)amino]-4-oxobutanoyl]amino]propanimidate.
Chemical Property Profile of Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)
Property Insights of Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)
The XLogP value of -2.6 indicates that Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.0 Ų indicates high polarity, suggesting Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate) has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)?
The CAS number of Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate) is 80186-82-9.
What is the molecular formula of Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)?
The molecular formula of Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate) is C12H22N4O6.
What is the molecular weight of Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)?
The molecular weight of Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate) is 318.15 g/mol.
Where can I buy Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)?
You can request a quote for Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.