AB00668335-01
TL;DR: AB00668335-01 (CAS 681279-76-5) is a chemical compound with molecular formula C22H22N4OS2 and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: AB00668335-01, F0545-0720, 2-({1-[(2,5-dimethylphenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C22H22N4OS2 |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 5.19716 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.1235 |
| Heavy Atoms | 29 |
| Complexity | 1178.7455 |
Chemical Identifiers
| CAS Number | 681279-76-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NN=C(S4)C |
Product Overview
AB00668335-01 (CAS 681279-76-5), with molecular formula C22H22N4OS2 and molecular weight 422.12 g/mol. IUPAC: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of AB00668335-01
Property Insights of AB00668335-01
The XLogP value of 5.19716 indicates that AB00668335-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00668335-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668335-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668335-01?
The CAS number of AB00668335-01 is 681279-76-5.
What is the molecular formula of AB00668335-01?
The molecular formula of AB00668335-01 is C22H22N4OS2.
What is the molecular weight of AB00668335-01?
The molecular weight of AB00668335-01 is 422.12 g/mol.
Where can I buy AB00668335-01?
You can request a quote for AB00668335-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668335-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668335-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.