methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
TL;DR: methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 758702-65-7) is a chemical compound with molecular formula C22H27NO7 and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-chromene-3-carboxylate
| Molecular Formula | C22H27NO7 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 2.8127 |
| Topological Polar Surface Area | 106.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.17874 |
| Heavy Atoms | 30 |
| Complexity | 958.4779 |
Chemical Identifiers
| CAS Number | 758702-65-7 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)C1)C |
Product Overview
methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 758702-65-7), with molecular formula C22H27NO7 and molecular weight 417.18 g/mol. IUPAC: methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Property Insights of methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
The XLogP value of 2.8127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate. The TPSA of 106.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The CAS number of methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 758702-65-7.
What is the molecular formula of methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular formula of methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is C22H27NO7.
What is the molecular weight of methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular weight of methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 417.18 g/mol.
Where can I buy methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
You can request a quote for methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-amino-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.