Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L-
TL;DR: Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L- (CAS 64187-18-4) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl (2S)-3-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: L-3-(p-Hydroxyphenyl)-N-(p-tolylsulfonyl)alanine cyanomethyl ester, N-(p-Tolylsulfonyl)-L-tyrosine cyanomethyl ester, ALANINE, 3-(p-HYDROXYPHENYL)-N-(p-TOLYLSULFONYL)-, CYANOMETHYL ESTER, L-, Cyanomethyl N-(4-methylbenzene-1-sulfonyl)-L-tyrosinate, 4-Hydroxy-N-(p-tolylsulfonyl)-L-phenylalanine cyanomethyl ester
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 64187-18-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)OCC#N |
| InChIKey | IRMUFNWOEHJWCP-KRWDZBQOSA-N |
Product Overview
Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L- (CAS 64187-18-4), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: cyanomethyl (2S)-3-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L-
Property Insights of Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L-. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L-. Following Lipinski's Rule of Five, Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L- has 2 hydrogen bond donor(s) and 7 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 Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L-?
The CAS number of Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L- is 64187-18-4.
What is the molecular formula of Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L-?
The molecular formula of Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L- is C18H18N2O5S.
What is the molecular weight of Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L-?
The molecular weight of Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L- is 374.09 g/mol.
Where can I buy Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L-?
You can request a quote for Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, 3-(p-hydroxyphenyl)-N-(p-tolylsulfonyl)-, cyanomethyl ester, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.