H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA
TL;DR: H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA (CAS 5648-68-0) is a chemical compound with molecular formula C25H42F3N5O9 and molecular weight 613.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[[1-[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
Also Known As: H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA, threonylvalylprolyl-n-methylglycyl-n-methylvaline trifluoroacetate(1:1), 2-[[2-[[1-[2-[(2-Amino-3-hydroxy-butanoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]-methyl-amino]acetyl]-methyl-amino]-3-methyl-butanoic acid, 2-[[2-[[1-[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid; 2,2,2-trifluoroacetic acid, N-(2-Amino-1,3-dihydroxybutylidene)valylprolyl-N-methylglycyl-N-methylvaline--trifluoroacetic acid (1/1)
| Molecular Formula | C25H42F3N5O9 |
|---|---|
| Molecular Weight | 613.29 g/mol |
| LogP | -0.5144 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 613.29346 |
| Heavy Atoms | 42 |
| Complexity | 887.0 |
Chemical Identifiers
| CAS Number | 5648-68-0 |
|---|---|
| SMILES | CC(C)C(C(=O)N1CCCC1C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O)NC(=O)C(C(C)O)N.C(=O)(C(F)(F)F)O |
| InChIKey | UAEFLNUCCAOFJL-UHFFFAOYSA-N |
Product Overview
H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA (CAS 5648-68-0), with molecular formula C25H42F3N5O9 and molecular weight 613.29 g/mol. IUPAC: 2-[[2-[[1-[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid.
Chemical Property Profile of H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA
Property Insights of H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA
The XLogP value of -0.5144 indicates that H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA?
The CAS number of H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA is 5648-68-0.
What is the molecular formula of H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA?
The molecular formula of H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA is C25H42F3N5O9.
What is the molecular weight of H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA?
The molecular weight of H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA is 613.29 g/mol.
Where can I buy H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA?
You can request a quote for H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA?
Yes, KEHONG BIO provides custom synthesis services for H-DL-xiThr-DL-Val-DL-Pro-Sar-DL-N(Me)Val-OH.TFA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.