AB00668332-01
TL;DR: AB00668332-01 (CAS 681276-87-9) is a chemical compound with molecular formula C21H20N4OS2 and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: AB00668332-01, F0545-0552, N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide, N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)acetamide, 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C21H20N4OS2 |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 4.88874 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.10785 |
| Heavy Atoms | 28 |
| Complexity | 1115.1056 |
Chemical Identifiers
| CAS Number | 681276-87-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NN=C(S4)C |
Product Overview
AB00668332-01 (CAS 681276-87-9), with molecular formula C21H20N4OS2 and molecular weight 408.11 g/mol. IUPAC: 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of AB00668332-01
Property Insights of AB00668332-01
The XLogP value of 4.88874 indicates that AB00668332-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00668332-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668332-01 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 AB00668332-01?
The CAS number of AB00668332-01 is 681276-87-9.
What is the molecular formula of AB00668332-01?
The molecular formula of AB00668332-01 is C21H20N4OS2.
What is the molecular weight of AB00668332-01?
The molecular weight of AB00668332-01 is 408.11 g/mol.
Where can I buy AB00668332-01?
You can request a quote for AB00668332-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668332-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668332-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.