4-Azidobenzoyltrimethionine
TL;DR: 4-Azidobenzoyltrimethionine (CAS 85119-89-7) is a chemical compound with molecular formula C22H32N6O5S3 and molecular weight 556.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[(2S)-2-[(4-azidobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: 4-Abmmm, 4-Azidobenzoyltrimethionine, 4-Azidobenzoyl-met-met-met, L-Methionine, N-(N-(N-(4-azidobenzoyl)-L-methionyl)-L-methionyl)-, (2S)-2-[[(2S)-2-[[(2S)-2-[(4-azidobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C22H32N6O5S3 |
|---|---|
| Molecular Weight | 556.16 g/mol |
| LogP | 3.0403 |
| Topological Polar Surface Area | 173.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 556.1596 |
| Heavy Atoms | 36 |
| Complexity | 927.25385 |
Chemical Identifiers
| CAS Number | 85119-89-7 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)C1=CC=C(C=C1)N=[N+]=[N-] |
Product Overview
4-Azidobenzoyltrimethionine (CAS 85119-89-7), with molecular formula C22H32N6O5S3 and molecular weight 556.16 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[(4-azidobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 4-Azidobenzoyltrimethionine
Property Insights of 4-Azidobenzoyltrimethionine
The XLogP value of 3.0403 indicates that 4-Azidobenzoyltrimethionine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.36 Ų indicates high polarity, suggesting 4-Azidobenzoyltrimethionine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Azidobenzoyltrimethionine has 4 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 4-Azidobenzoyltrimethionine?
The CAS number of 4-Azidobenzoyltrimethionine is 85119-89-7.
What is the molecular formula of 4-Azidobenzoyltrimethionine?
The molecular formula of 4-Azidobenzoyltrimethionine is C22H32N6O5S3.
What is the molecular weight of 4-Azidobenzoyltrimethionine?
The molecular weight of 4-Azidobenzoyltrimethionine is 556.16 g/mol.
Where can I buy 4-Azidobenzoyltrimethionine?
You can request a quote for 4-Azidobenzoyltrimethionine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azidobenzoyltrimethionine?
Yes, KEHONG BIO provides custom synthesis services for 4-Azidobenzoyltrimethionine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.