Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride
TL;DR: Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride (CAS 76845-72-2) is a chemical compound with molecular formula C25H25ClFeN2O6 and molecular weight 540.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-1,3-diene;dimethyl 2-(cyclopenta-1,4-dien-1-ylamino)-4-(1,3-dioxoisoindol-2-yl)pentanedioate;iron(2+);hydrochloride
Also Known As: Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride, Ferrocene, ((3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)amino)-, monohydrochloride, Iron(2+) dimethyl N-cyclopenta-3,5-dien-2-id-1-yl-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)glutamate cyclopenta-2,4-dien-1-ide--hydrogen chloride (1/1/1/1), cyclopenta-1,3-diene; dimethyl 2-(cyclopenta-2,4-dien-1-ylamino)-4-(1,3-dioxoisoindol-2-yl)pentanedioate; iron(2+); hydrochloride, Iron(2+) dimethyl N-(cyclopenta-3,5-dien-2-id-1-yl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)glutamate cyclopenta-2,4-dien-1-ide--hydrogen chloride (1/1/1/1)
| Molecular Formula | C25H25ClFeN2O6 |
|---|---|
| Molecular Weight | 540.08 g/mol |
| LogP | 3.4117 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.0751 |
| Heavy Atoms | 35 |
| Complexity | 1048.9116 |
Chemical Identifiers
| CAS Number | 76845-72-2 |
|---|---|
| SMILES | COC(=O)C(CC(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)NC3=C[CH-]C=C3.[CH-]1C=CC=C1.Cl.[Fe+2] |
Product Overview
Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride (CAS 76845-72-2), with molecular formula C25H25ClFeN2O6 and molecular weight 540.08 g/mol. IUPAC: cyclopenta-1,3-diene;dimethyl 2-(cyclopenta-1,4-dien-1-ylamino)-4-(1,3-dioxoisoindol-2-yl)pentanedioate;iron(2+);hydrochloride.
Chemical Property Profile of Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride
Property Insights of Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride
The XLogP value of 3.4117 indicates that Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride. Following Lipinski's Rule of Five, Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride?
The CAS number of Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride is 76845-72-2.
What is the molecular formula of Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride?
The molecular formula of Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride is C25H25ClFeN2O6.
What is the molecular weight of Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride?
The molecular weight of Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride is 540.08 g/mol.
Where can I buy Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride?
You can request a quote for Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.