4-Heptynoic acid,2-amino-,ethyl ester
TL;DR: 4-Heptynoic acid,2-amino-,ethyl ester (CAS 92215-59-3) is a chemical compound with molecular formula C25H35N8O6P and molecular weight 574.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-diethoxyphosphorylbutanoate
Also Known As: 4-Heptynoic acid,2-amino-,ethyl ester, ETHYL 2-[[4-[(2,4-DIAMINOPTERIDIN-6-YL)METHYL-METHYL-AMINO]BENZOYL]AMINO]-4-DIETHOXYPHOSPHORYL-BUTANOATE, ethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]be, ethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-diethoxyphosphorylbutanoate, Ethyl 2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-4-(diethoxyphosphoryl)butanoate
| Molecular Formula | C25H35N8O6P |
|---|---|
| Molecular Weight | 574.24 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Exact Mass | 574.2417 |
| Heavy Atoms | 40 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 92215-59-3 |
|---|---|
| SMILES | CCOC(=O)C(CCP(=O)(OCC)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | KBLMREUHQIPPKS-UHFFFAOYSA-N |
Product Overview
4-Heptynoic acid,2-amino-,ethyl ester (CAS 92215-59-3), with molecular formula C25H35N8O6P and molecular weight 574.24 g/mol. IUPAC: ethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-diethoxyphosphorylbutanoate.
Chemical Property Profile of 4-Heptynoic acid,2-amino-,ethyl ester
Property Insights of 4-Heptynoic acid,2-amino-,ethyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Heptynoic acid,2-amino-,ethyl ester. The TPSA of 198.0 Ų indicates high polarity, suggesting 4-Heptynoic acid,2-amino-,ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Heptynoic acid,2-amino-,ethyl ester has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Heptynoic acid,2-amino-,ethyl ester?
The CAS number of 4-Heptynoic acid,2-amino-,ethyl ester is 92215-59-3.
What is the molecular formula of 4-Heptynoic acid,2-amino-,ethyl ester?
The molecular formula of 4-Heptynoic acid,2-amino-,ethyl ester is C25H35N8O6P.
What is the molecular weight of 4-Heptynoic acid,2-amino-,ethyl ester?
The molecular weight of 4-Heptynoic acid,2-amino-,ethyl ester is 574.24 g/mol.
Where can I buy 4-Heptynoic acid,2-amino-,ethyl ester?
You can request a quote for 4-Heptynoic acid,2-amino-,ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptynoic acid,2-amino-,ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptynoic acid,2-amino-,ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.