METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE
TL;DR: METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE (CAS 1022597-60-9) is a chemical compound with molecular formula C27H27N3O5 and molecular weight 473.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]carbamoylamino]benzoate
Also Known As: METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE, Methyl 2-[[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]carbamoylamino]benzoate, methyl 2-[({4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl}carbamoyl)amino]benzoate
| Molecular Formula | C27H27N3O5 |
|---|---|
| Molecular Weight | 473.20 g/mol |
| LogP | 4.7223 |
| Topological Polar Surface Area | 98.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.19507 |
| Heavy Atoms | 35 |
| Complexity | 1268.3083 |
Chemical Identifiers
| CAS Number | 1022597-60-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4C(=O)OC)OC |
Product Overview
METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE (CAS 1022597-60-9), with molecular formula C27H27N3O5 and molecular weight 473.20 g/mol. IUPAC: methyl 2-[[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]carbamoylamino]benzoate.
Chemical Property Profile of METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE
Property Insights of METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE
The XLogP value of 4.7223 indicates that METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.25 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE. Following Lipinski's Rule of Five, METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE has 2 hydrogen bond donor(s) and 6 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-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE?
The CAS number of METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE is 1022597-60-9.
What is the molecular formula of METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE?
The molecular formula of METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE is C27H27N3O5.
What is the molecular weight of METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE?
The molecular weight of METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE is 473.20 g/mol.
Where can I buy METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE?
You can request a quote for METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 2-((N-(4-((6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLYL)METHYL)PHENYL)CARBAMOYL)AMINO)BENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.