![trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid structure](/static/products/117/1173675-37-0.png)
trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid
TL;DR: trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid (CAS 1173675-37-0) is a chemical compound with molecular formula C21H32N2O5S and molecular weight 424.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
Also Known As: trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid, (1S,4r)-4-(((2S,3S)-3-methyl-2-(4-methylphenylsulfonamido)pentanamido)methyl)cyclohexanecarboxylic acid, 4-[[[(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
| Molecular Formula | C21H32N2O5S |
|---|---|
| Molecular Weight | 424.20 g/mol |
| LogP | 2.69522 |
| Topological Polar Surface Area | 112.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.2032 |
| Heavy Atoms | 29 |
| Complexity | 798.8653 |
Chemical Identifiers
| CAS Number | 1173675-37-0 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid (CAS 1173675-37-0), with molecular formula C21H32N2O5S and molecular weight 424.20 g/mol. IUPAC: 4-[[[(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]methyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid
Property Insights of trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid
The XLogP value of 2.69522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid. The TPSA of 112.57 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid?
The CAS number of trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid is 1173675-37-0.
What is the molecular formula of trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid?
The molecular formula of trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid is C21H32N2O5S.
What is the molecular weight of trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid?
The molecular weight of trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid is 424.20 g/mol.
Where can I buy trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid?
You can request a quote for trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.