ksc-8-29
TL;DR: ksc-8-29 (CAS 577695-90-0) is a chemical compound with molecular formula C18H14FN5O3S and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
Also Known As: ksc-8-29, 3-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione, AJ-292/42032177, 3-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione, 3-{[1-(4-fluorophenyl)-1H-tetraazol-5-yl]sulfanyl}-1-(4-methoxyphenyl)-2,5-pyrrolidinedione
| Molecular Formula | C18H14FN5O3S |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 2.2342 |
| Topological Polar Surface Area | 90.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.08014 |
| Heavy Atoms | 28 |
| Complexity | 1022.46014 |
Chemical Identifiers
| CAS Number | 577695-90-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NN=NN3C4=CC=C(C=C4)F |
Product Overview
ksc-8-29 (CAS 577695-90-0), with molecular formula C18H14FN5O3S and molecular weight 399.08 g/mol. IUPAC: 3-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of ksc-8-29
Property Insights of ksc-8-29
The XLogP value of 2.2342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ksc-8-29. The TPSA of 90.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ksc-8-29. Following Lipinski's Rule of Five, ksc-8-29 has 0 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 ksc-8-29?
The CAS number of ksc-8-29 is 577695-90-0.
What is the molecular formula of ksc-8-29?
The molecular formula of ksc-8-29 is C18H14FN5O3S.
What is the molecular weight of ksc-8-29?
The molecular weight of ksc-8-29 is 399.08 g/mol.
Where can I buy ksc-8-29?
You can request a quote for ksc-8-29 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ksc-8-29?
Yes, KEHONG BIO provides custom synthesis services for ksc-8-29 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.