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Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate
TL;DR: Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate (CAS 524055-72-9) is a chemical compound with molecular formula C12H15N5O4 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[amino-(diaminomethylideneamino)methylidene]amino]benzene-1,3-dicarboxylate
Also Known As: 3,5-dicarbomethoxyphenylbiguanide, Dimethyl 5-(3-carbamimidoylguanidino)isophthalate, J3.775.653I, dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate, Dimethyl5-(3-carbamimidoylguanidino)isophthalate
| Molecular Formula | C12H15N5O4 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | -0.5206 |
| Topological Polar Surface Area | 155.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.1124 |
| Heavy Atoms | 21 |
| Complexity | 585.82385 |
Chemical Identifiers
| CAS Number | 524055-72-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)N=C(N)N=C(N)N)C(=O)OC |
Product Overview
Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate (CAS 524055-72-9), with molecular formula C12H15N5O4 and molecular weight 293.11 g/mol. IUPAC: dimethyl 5-[[amino-(diaminomethylideneamino)methylidene]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate
Property Insights of Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate
The XLogP value of -0.5206 indicates that Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.38 Ų indicates high polarity, suggesting Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate has 3 hydrogen bond donor(s) and 5 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 Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate?
The CAS number of Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate is 524055-72-9.
What is the molecular formula of Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate?
The molecular formula of Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate is C12H15N5O4.
What is the molecular weight of Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate?
The molecular weight of Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate is 293.11 g/mol.
Where can I buy Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate?
You can request a quote for Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[{[amino(imino)methyl]amino}-(imino)methyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.