Acetyltetragastrin
TL;DR: Acetyltetragastrin (CAS 6675-94-1) is a chemical compound with molecular formula C31H38N6O7S and molecular weight 638.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Acetyltetragastrin, L-Phenylalaninamide, N-acetyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-4, (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid, N-acetyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide, (3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]propanoic acid
| Molecular Formula | C31H38N6O7S |
|---|---|
| Molecular Weight | 638.25 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 638.25226 |
| Heavy Atoms | 45 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 6675-94-1 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N |
| InChIKey | FYQMBFQIYDWVGA-CQJMVLFOSA-N |
Product Overview
Acetyltetragastrin (CAS 6675-94-1), with molecular formula C31H38N6O7S and molecular weight 638.25 g/mol. IUPAC: (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Acetyltetragastrin
Property Insights of Acetyltetragastrin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyltetragastrin. The TPSA of 238.0 Ų indicates high polarity, suggesting Acetyltetragastrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetyltetragastrin has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetyltetragastrin?
The CAS number of Acetyltetragastrin is 6675-94-1.
What is the molecular formula of Acetyltetragastrin?
The molecular formula of Acetyltetragastrin is C31H38N6O7S.
What is the molecular weight of Acetyltetragastrin?
The molecular weight of Acetyltetragastrin is 638.25 g/mol.
Where can I buy Acetyltetragastrin?
You can request a quote for Acetyltetragastrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyltetragastrin?
Yes, KEHONG BIO provides custom synthesis services for Acetyltetragastrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.