7R-1127
TL;DR: 7R-1127 (CAS 478079-36-6) is a chemical compound with molecular formula C21H18FN3O3S2 and molecular weight 443.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(4-fluorobenzoyl)amino]phenyl]sulfanyl-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: 7R-1127, ethyl 4-({2-[(4-fluorobenzoyl)amino]phenyl}sulfanyl)-2-(methylsulfanyl)-5-pyrimidinecarboxylate, ethyl 4-[2-[(4-fluorobenzoyl)amino]phenyl]sulfanyl-2-methylsulfanylpyrimidine-5-carboxylate, ethyl 4-{[2-(4-fluorobenzamido)phenyl]sulfanyl}-2-(methylsulfanyl)pyrimidine-5-carboxylate, ethyl4-{[2-(4-fluorobenzamido)phenyl]sulfanyl}-2-(methylsulfanyl)pyrimidine-5-carboxylate
| Molecular Formula | C21H18FN3O3S2 |
|---|---|
| Molecular Weight | 443.08 g/mol |
| LogP | 4.9178 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.07736 |
| Heavy Atoms | 30 |
| Complexity | 1061.6172 |
Chemical Identifiers
| CAS Number | 478079-36-6 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F)SC |
Product Overview
7R-1127 (CAS 478079-36-6), with molecular formula C21H18FN3O3S2 and molecular weight 443.08 g/mol. IUPAC: ethyl 4-[2-[(4-fluorobenzoyl)amino]phenyl]sulfanyl-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of 7R-1127
Property Insights of 7R-1127
The XLogP value of 4.9178 indicates that 7R-1127 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 7R-1127. Following Lipinski's Rule of Five, 7R-1127 has 1 hydrogen bond donor(s) and 7 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 7R-1127?
The CAS number of 7R-1127 is 478079-36-6.
What is the molecular formula of 7R-1127?
The molecular formula of 7R-1127 is C21H18FN3O3S2.
What is the molecular weight of 7R-1127?
The molecular weight of 7R-1127 is 443.08 g/mol.
Where can I buy 7R-1127?
You can request a quote for 7R-1127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7R-1127?
Yes, KEHONG BIO provides custom synthesis services for 7R-1127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.