AB00667990-01
TL;DR: AB00667990-01 (CAS 392680-58-9) is a chemical compound with molecular formula C23H22FN7O3S2 and molecular weight 527.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-fluorophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
Also Known As: AB00667990-01, F0508-3731, 2-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, N-((4-(4-fluorophenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-(4-methoxyphenyl)acetamide, N-[[4-(4-fluorophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
| Molecular Formula | C23H22FN7O3S2 |
|---|---|
| Molecular Weight | 527.12 g/mol |
| LogP | 3.16462 |
| Topological Polar Surface Area | 123.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 527.121 |
| Heavy Atoms | 36 |
| Complexity | 1340.7585 |
Chemical Identifiers
| CAS Number | 392680-58-9 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)CC4=CC=C(C=C4)OC |
Product Overview
AB00667990-01 (CAS 392680-58-9), with molecular formula C23H22FN7O3S2 and molecular weight 527.12 g/mol. IUPAC: N-[[4-(4-fluorophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
Chemical Property Profile of AB00667990-01
Property Insights of AB00667990-01
The XLogP value of 3.16462 indicates that AB00667990-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00667990-01. Following Lipinski's Rule of Five, AB00667990-01 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00667990-01?
The CAS number of AB00667990-01 is 392680-58-9.
What is the molecular formula of AB00667990-01?
The molecular formula of AB00667990-01 is C23H22FN7O3S2.
What is the molecular weight of AB00667990-01?
The molecular weight of AB00667990-01 is 527.12 g/mol.
Where can I buy AB00667990-01?
You can request a quote for AB00667990-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667990-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667990-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.