K-13 (Ace inhib)
TL;DR: K-13 (Ace inhib) (CAS 108890-90-0) is a chemical compound with molecular formula C29H29N3O8 and molecular weight 547.19543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2S)-2-[[2-acetamido-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Also Known As: K-13 (Ace inhib), L-Tyrosine,N-acetyl-L-tyrosyl-L-tyrosyl-3-hydroxy-, cyclic (1®33)-ether, 2-[[(2S)-2-[[2-Acetamido-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Technical Specifications
| Molecular Formula | C29H29N3O8 |
| Molecular Weight | 547.19543 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 188.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 547.19543 Da |
| Heavy Atoms | 40 |
| Complexity | 922.0 |
| SMILES | CC(=O)NC(=CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)CNC(=CC3=CC(=C(C=C3)O)O)C(=O)O |
| InChIKey | HYTQWQKWYAFIQQ-NRFANRHFSA-N |
Chemical Property Profile of K-13 (Ace inhib)
Property Insights of K-13 (Ace inhib)
The XLogP value of 3.5 indicates that K-13 (Ace inhib) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.0 Ų indicates high polarity, suggesting K-13 (Ace inhib) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, K-13 (Ace inhib) has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of K-13 (Ace inhib)?
The CAS number of K-13 (Ace inhib) is 108890-90-0.
What is the molecular formula of K-13 (Ace inhib)?
The molecular formula of K-13 (Ace inhib) is C29H29N3O8.
What is the molecular weight of K-13 (Ace inhib)?
The molecular weight of K-13 (Ace inhib) is 547.19543 g/mol.
Where can I buy K-13 (Ace inhib)?
You can request a quote for K-13 (Ace inhib) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for K-13 (Ace inhib)?
Yes, CoreyChem provides custom synthesis services for K-13 (Ace inhib) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.