C31H26N4O4
TL;DR: C31H26N4O4 (CAS 844853-45-8) is a chemical compound with molecular formula C31H26N4O4 and molecular weight 518.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(1-hydroxynaphthalen-2-yl)-9-(4-methoxyphenyl)-5,5-dimethyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
Also Known As: 2-(1-hydroxynaphthalen-2-yl)-12-(4-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one, 2-(1-hydroxynaphthalen-2-yl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one
| Molecular Formula | C31H26N4O4 |
|---|---|
| Molecular Weight | 518.20 g/mol |
| LogP | 5.8262 |
| Topological Polar Surface Area | 98.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.19543 |
| Heavy Atoms | 39 |
| Complexity | 1835.608 |
Chemical Identifiers
| CAS Number | 844853-45-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)C5=C(C6=CC=CC=C6C=C5)O)C7=CC=C(C=C7)OC)C(=O)C1)C |
Product Overview
C31H26N4O4 (CAS 844853-45-8), with molecular formula C31H26N4O4 and molecular weight 518.20 g/mol. IUPAC: 13-(1-hydroxynaphthalen-2-yl)-9-(4-methoxyphenyl)-5,5-dimethyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one.
Chemical Property Profile of C31H26N4O4
Property Insights of C31H26N4O4
The XLogP value of 5.8262 indicates that C31H26N4O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.84 Ų falls within the moderate polarity range, balancing permeability and solubility for C31H26N4O4. Following Lipinski's Rule of Five, C31H26N4O4 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 C31H26N4O4?
The CAS number of C31H26N4O4 is 844853-45-8.
What is the molecular formula of C31H26N4O4?
The molecular formula of C31H26N4O4 is C31H26N4O4.
What is the molecular weight of C31H26N4O4?
The molecular weight of C31H26N4O4 is 518.20 g/mol.
Where can I buy C31H26N4O4?
You can request a quote for C31H26N4O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H26N4O4?
Yes, KEHONG BIO provides custom synthesis services for C31H26N4O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.