AB00111641-01
TL;DR: AB00111641-01 (CAS 429647-84-7) is a chemical compound with molecular formula C22H15ClN4O4S and molecular weight 466.05026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-methyl-3-nitrobenzamide
Also Known As: AB00111641-01, N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-methyl-3-nitrobenzamide, N-{[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl}-2-methyl-3-nitrobenzamide, N-[(5-benzooxazol-2-yl-2-chloro-phenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide
Technical Specifications
| Molecular Formula | C22H15ClN4O4S |
| Molecular Weight | 466.05026 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.05026 Da |
| Heavy Atoms | 32 |
| Complexity | 723.0 |
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl |
| InChIKey | ZYSZWHDAPHDADJ-UHFFFAOYSA-N |
Product Description
Applications: AC1LQ8TR is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
AC1LQ8TR is a fine chemical identified by CAS number 429647-84-7 and the molecular formula C22H15ClN4O4S and a molecular weight of 466.05 g/mol. Synonyms include AB00111641-01 and N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-methyl-3-nitrobenzamide.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of AB00111641-01
Property Insights of AB00111641-01
The XLogP value of 5.8 indicates that AB00111641-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting AB00111641-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00111641-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AB00111641-01?
The CAS number of AB00111641-01 is 429647-84-7.
What is the molecular formula of AB00111641-01?
The molecular formula of AB00111641-01 is C22H15ClN4O4S.
What is the molecular weight of AB00111641-01?
The molecular weight of AB00111641-01 is 466.05026 g/mol.
What are the applications of AB00111641-01?
AC1LQ8TR is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy AB00111641-01?
You can request a quote for AB00111641-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00111641-01?
Yes, CoreyChem provides custom synthesis services for AB00111641-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.