C118-0442
TL;DR: C118-0442 (CAS 536990-75-7) is a chemical compound with molecular formula C29H28FN5O4S and molecular weight 561.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: C118-0442, F0576-0822, 2-((2-fluorobenzyl)thio)-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C29H28FN5O4S |
|---|---|
| Molecular Weight | 561.18 g/mol |
| LogP | 5.6629 |
| Topological Polar Surface Area | 99.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 561.18463 |
| Heavy Atoms | 40 |
| Complexity | 1548.9001 |
Chemical Identifiers
| CAS Number | 536990-75-7 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3F)N1)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)NC5=CC=CC=C5 |
Product Overview
C118-0442 (CAS 536990-75-7), with molecular formula C29H28FN5O4S and molecular weight 561.18 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of C118-0442
Property Insights of C118-0442
The XLogP value of 5.6629 indicates that C118-0442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.53 Ų falls within the moderate polarity range, balancing permeability and solubility for C118-0442. Following Lipinski's Rule of Five, C118-0442 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C118-0442?
The CAS number of C118-0442 is 536990-75-7.
What is the molecular formula of C118-0442?
The molecular formula of C118-0442 is C29H28FN5O4S.
What is the molecular weight of C118-0442?
The molecular weight of C118-0442 is 561.18 g/mol.
Where can I buy C118-0442?
You can request a quote for C118-0442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C118-0442?
Yes, KEHONG BIO provides custom synthesis services for C118-0442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.