![Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate structure](/static/products/5403/5403-84-9.webp)
Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
TL;DR: Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate (CAS 5403-84-9) is a chemical compound with molecular formula C29H31ClN2O6 and molecular weight 538.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate, ethyl 2-amino-4-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
| Molecular Formula | C29H31ClN2O6 |
|---|---|
| Molecular Weight | 538.19 g/mol |
| LogP | 4.5256 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.1871 |
| Heavy Atoms | 38 |
| Complexity | 1315.6034 |
Chemical Identifiers
| CAS Number | 5403-84-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Cl)OCC(=O)NCC4=CC=CC=C4)C(=O)CC(C2)(C)C)N |
Product Overview
Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate (CAS 5403-84-9), with molecular formula C29H31ClN2O6 and molecular weight 538.19 g/mol. IUPAC: ethyl 2-amino-4-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Property Insights of Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
The XLogP value of 4.5256 indicates that Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate has 2 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 Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate?
The CAS number of Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate is 5403-84-9.
What is the molecular formula of Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate?
The molecular formula of Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate is C29H31ClN2O6.
What is the molecular weight of Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate?
The molecular weight of Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate is 538.19 g/mol.
Where can I buy Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate?
You can request a quote for Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-4-{2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.