Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate
TL;DR: Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate (CAS 6951-80-0) is a chemical compound with molecular formula C13H19ClN4O5 and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(2,4-dinitroanilino)hexanimidate;hydrochloride
Also Known As: Sid 769110, Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate, methyl 6-(2,4-dinitroanilino)hexanimidate,hydrochloride, methyl 6-(2,4-dinitroanilino)hexanimidate hydrochloride, methyl(1z)-6-[(2,4-dinitrophenyl)amino]hexanimidoate hydrochloride(1:1)
| Molecular Formula | C13H19ClN4O5 |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 3.52077 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.1044 |
| Heavy Atoms | 23 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 6951-80-0 |
|---|---|
| SMILES | COC(=N)CCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].Cl |
| InChIKey | YWCYCDHBKCNKJZ-UHFFFAOYSA-N |
Product Overview
Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate (CAS 6951-80-0), with molecular formula C13H19ClN4O5 and molecular weight 346.10 g/mol. IUPAC: methyl 6-(2,4-dinitroanilino)hexanimidate;hydrochloride.
Chemical Property Profile of Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate
Property Insights of Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate
The XLogP value of 3.52077 indicates that Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate. Following Lipinski's Rule of Five, Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate has 3 hydrogen bond donor(s) and 7 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 Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate?
The CAS number of Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate is 6951-80-0.
What is the molecular formula of Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate?
The molecular formula of Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate is C13H19ClN4O5.
What is the molecular weight of Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate?
The molecular weight of Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate is 346.10 g/mol.
Where can I buy Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate?
You can request a quote for Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl epsilon-(N-2,4-dinitrophenyl)aminocaproimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.