methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate
TL;DR: methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate (CAS 622364-70-9) is a chemical compound with molecular formula C25H25N3O3 and molecular weight 415.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbonyl)amino]benzoate
Also Known As: methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate, AF-399/42176804, F1716-0268, methyl 4-{12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaene-1-amido}benzoate, methyl 4-[(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbonyl)amino]benzoate
| Molecular Formula | C25H25N3O3 |
|---|---|
| Molecular Weight | 415.19 g/mol |
| LogP | 4.3842 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.1896 |
| Heavy Atoms | 31 |
| Complexity | 1234.4957 |
Chemical Identifiers
| CAS Number | 622364-70-9 |
|---|---|
| SMILES | CC1(C2(CCC1(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=CC=C(C=C5)C(=O)OC)C)C |
Product Overview
methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate (CAS 622364-70-9), with molecular formula C25H25N3O3 and molecular weight 415.19 g/mol. IUPAC: methyl 4-[(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate
Property Insights of methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate
The XLogP value of 4.3842 indicates that methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate. Following Lipinski's Rule of Five, methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate has 1 hydrogen bond donor(s) and 5 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 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate?
The CAS number of methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate is 622364-70-9.
What is the molecular formula of methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate?
The molecular formula of methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate is C25H25N3O3.
What is the molecular weight of methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate?
The molecular weight of methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate is 415.19 g/mol.
Where can I buy methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate?
You can request a quote for methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.