1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate
TL;DR: 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate (CAS 333771-47-4) is a chemical compound with molecular formula C6H10N4O6 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1,2-diamino-2-methoxycarbonyloxyiminoethylidene)amino] methyl carbonate
Also Known As: 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate, [(1,2-diamino-2-methoxycarbonyloxyiminoethylidene)amino] methyl carbonate, RefChem:221792
| Molecular Formula | C6H10N4O6 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | -0.9032 |
| Topological Polar Surface Area | 147.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.06003 |
| Heavy Atoms | 16 |
| Complexity | 292.98044 |
Chemical Identifiers
| CAS Number | 333771-47-4 |
|---|---|
| SMILES | COC(=O)ON=C(C(=NOC(=O)OC)N)N |
Product Overview
1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate (CAS 333771-47-4), with molecular formula C6H10N4O6 and molecular weight 234.06 g/mol. IUPAC: [(1,2-diamino-2-methoxycarbonyloxyiminoethylidene)amino] methyl carbonate.
Chemical Property Profile of 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate
Property Insights of 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate
The XLogP value of -0.9032 indicates that 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.82 Ų indicates high polarity, suggesting 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate 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 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate?
The CAS number of 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate is 333771-47-4.
What is the molecular formula of 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate?
The molecular formula of 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate is C6H10N4O6.
What is the molecular weight of 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate?
The molecular weight of 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate is 234.06 g/mol.
Where can I buy 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate?
You can request a quote for 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Dimethyl 4,5-diimino-2,7-dioxa-3,6-diazaoctanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.