BAS 05987818
TL;DR: BAS 05987818 (CAS 603975-99-1) is a chemical compound with molecular formula C14H17FN4OS and molecular weight 308.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 05987818, N-(2-fluorophenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-fluorophenyl)-2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-FLUOROPHENYL)-2-[(5-ISOPROPYL-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
| Molecular Formula | C14H17FN4OS |
|---|---|
| Molecular Weight | 308.11 g/mol |
| LogP | 2.8084 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.11072 |
| Heavy Atoms | 21 |
| Complexity | 641.6543 |
Chemical Identifiers
| CAS Number | 603975-99-1 |
|---|---|
| SMILES | CC(C)C1=NN=C(N1C)SCC(=O)NC2=CC=CC=C2F |
Product Overview
BAS 05987818 (CAS 603975-99-1), with molecular formula C14H17FN4OS and molecular weight 308.11 g/mol. IUPAC: N-(2-fluorophenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 05987818
Property Insights of BAS 05987818
The XLogP value of 2.8084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05987818. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 05987818 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 05987818 has 1 hydrogen bond donor(s) and 4 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 BAS 05987818?
The CAS number of BAS 05987818 is 603975-99-1.
What is the molecular formula of BAS 05987818?
The molecular formula of BAS 05987818 is C14H17FN4OS.
What is the molecular weight of BAS 05987818?
The molecular weight of BAS 05987818 is 308.11 g/mol.
Where can I buy BAS 05987818?
You can request a quote for BAS 05987818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05987818?
Yes, KEHONG BIO provides custom synthesis services for BAS 05987818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.