C18H13N7O
TL;DR: C18H13N7O (CAS 401571-86-6) is a chemical compound with molecular formula C18H13N7O and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-10-phenyl-1,3,4,5,8,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2(6),4,8,10-tetraen-7-one
Also Known As: 1-Benzyl-6-phenyl-1H-bis([1,2,3]triazolo)[1,5-a:4',5'-e]pyrimidin-4(5H)-one
| Molecular Formula | C18H13N7O |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 1.8776 |
| Topological Polar Surface Area | 93.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.11816 |
| Heavy Atoms | 26 |
| Complexity | 1269.1521 |
Chemical Identifiers
| CAS Number | 401571-86-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)N=C4N3NN=C4C5=CC=CC=C5)N=N2 |
Product Overview
C18H13N7O (CAS 401571-86-6), with molecular formula C18H13N7O and molecular weight 343.12 g/mol. IUPAC: 3-benzyl-10-phenyl-1,3,4,5,8,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2(6),4,8,10-tetraen-7-one.
Chemical Property Profile of C18H13N7O
Property Insights of C18H13N7O
The XLogP value of 1.8776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H13N7O. The TPSA of 93.76 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H13N7O. Following Lipinski's Rule of Five, C18H13N7O 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 C18H13N7O?
The CAS number of C18H13N7O is 401571-86-6.
What is the molecular formula of C18H13N7O?
The molecular formula of C18H13N7O is C18H13N7O.
What is the molecular weight of C18H13N7O?
The molecular weight of C18H13N7O is 343.12 g/mol.
Where can I buy C18H13N7O?
You can request a quote for C18H13N7O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H13N7O?
Yes, KEHONG BIO provides custom synthesis services for C18H13N7O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.