AB00668324-01
TL;DR: AB00668324-01 (CAS 450347-27-0) is a chemical compound with molecular formula C20H17FN4OS2 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: AB00668324-01, F0545-0300, 2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-((1-(3-fluorobenzyl)-1H-indol-3-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C20H17FN4OS2 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 4.71942 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.0828 |
| Heavy Atoms | 28 |
| Complexity | 1138.1556 |
Chemical Identifiers
| CAS Number | 450347-27-0 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F |
Product Overview
AB00668324-01 (CAS 450347-27-0), with molecular formula C20H17FN4OS2 and molecular weight 412.08 g/mol. IUPAC: 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of AB00668324-01
Property Insights of AB00668324-01
The XLogP value of 4.71942 indicates that AB00668324-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00668324-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668324-01 has 1 hydrogen bond donor(s) and 5 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 AB00668324-01?
The CAS number of AB00668324-01 is 450347-27-0.
What is the molecular formula of AB00668324-01?
The molecular formula of AB00668324-01 is C20H17FN4OS2.
What is the molecular weight of AB00668324-01?
The molecular weight of AB00668324-01 is 412.08 g/mol.
Where can I buy AB00668324-01?
You can request a quote for AB00668324-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668324-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668324-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.