A 68552
TL;DR: A 68552 (CAS 112882-74-3) is a chemical compound with molecular formula C48H62N8O13S and molecular weight 990.4157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Also Known As: a68552, A 68552, A-68552, Desamino-tyr(1)-nle(2,5)-(N-methyl)phe(7)-cck-7, (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C48H62N8O13S |
| Molecular Weight | 990.4157 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 329.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 29 |
| Exact Mass | 990.4157 Da |
| Heavy Atoms | 70 |
| Complexity | 1850.0 |
| SMILES | CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)[C@H](CC3=CC=CC=C3)NC)NC(=O)CCC4=CC=C(C=C4)OS(=O)(=O)O |
| InChIKey | HTISDDBHNNOAGK-HECCNADXSA-N |
Product Description
Applications: A 68552 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).
A fine chemical supplied by CoreyChem, A 68552 (CAS 112882-74-3) has the molecular formula C48H62N8O13S and a molecular weight of 990.42 g/mol. Synonyms include a68552 and A 68552.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of A 68552
Property Insights of A 68552
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A 68552. The TPSA of 329.0 Ų indicates high polarity, suggesting A 68552 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A 68552 has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of A 68552?
The CAS number of A 68552 is 112882-74-3.
What is the molecular formula of A 68552?
The molecular formula of A 68552 is C48H62N8O13S.
What is the molecular weight of A 68552?
The molecular weight of A 68552 is 990.4157 g/mol.
What are the applications of A 68552?
A 68552 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 A 68552?
You can request a quote for A 68552 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for A 68552?
Yes, CoreyChem provides custom synthesis services for A 68552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.