C33H26N6O2
TL;DR: C33H26N6O2 (CAS 799825-41-5) is a chemical compound with molecular formula C33H26N6O2 and molecular weight 538.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(9-anilino-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-17-yl)benzoate
Also Known As: methyl 4-(10-methyl-8-phenyl-6-(phenylamino)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate, methyl 4-[10-methyl-8-phenyl-6-(phenylamino)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl]benzoate
| Molecular Formula | C33H26N6O2 |
|---|---|
| Molecular Weight | 538.21 g/mol |
| LogP | 6.76262 |
| Topological Polar Surface Area | 84.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 538.21173 |
| Heavy Atoms | 41 |
| Complexity | 1825.3595 |
Chemical Identifiers
| CAS Number | 799825-41-5 |
|---|---|
| SMILES | CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC)C7=CC=CC=C7 |
Product Overview
C33H26N6O2 (CAS 799825-41-5), with molecular formula C33H26N6O2 and molecular weight 538.21 g/mol. IUPAC: methyl 4-(9-anilino-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-17-yl)benzoate.
Chemical Property Profile of C33H26N6O2
Property Insights of C33H26N6O2
The XLogP value of 6.76262 indicates that C33H26N6O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.11 Ų falls within the moderate polarity range, balancing permeability and solubility for C33H26N6O2. Following Lipinski's Rule of Five, C33H26N6O2 has 1 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 C33H26N6O2?
The CAS number of C33H26N6O2 is 799825-41-5.
What is the molecular formula of C33H26N6O2?
The molecular formula of C33H26N6O2 is C33H26N6O2.
What is the molecular weight of C33H26N6O2?
The molecular weight of C33H26N6O2 is 538.21 g/mol.
Where can I buy C33H26N6O2?
You can request a quote for C33H26N6O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C33H26N6O2?
Yes, KEHONG BIO provides custom synthesis services for C33H26N6O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.