N-tosyl-4-guanidino-L-phenylalanine methyl ester
TL;DR: N-tosyl-4-guanidino-L-phenylalanine methyl ester (CAS 6626-68-2) is a chemical compound with molecular formula C18H23ClN4O4S and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-[4-(diaminomethylideneamino)phenyl]-2-[(4-methylphenyl)sulfonylamino]propanoate;hydrochloride
Also Known As: piperidine-1-carbodithioate, Sid 768986, N-Tosyl-p-guanidino-L-phenylalanine methyl ester, N-Tosyl-4-guanidino-L-phenylalanine methyl ester, piperidine-1-carbodithioate,triphenylstannanylium
| Molecular Formula | C18H23ClN4O4S |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 1.38432 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.11285 |
| Heavy Atoms | 28 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 6626-68-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)N=C(N)N)C(=O)OC.Cl |
| InChIKey | KUVUSIJRUZOPMY-NTISSMGPSA-N |
Product Overview
N-tosyl-4-guanidino-L-phenylalanine methyl ester (CAS 6626-68-2), with molecular formula C18H23ClN4O4S and molecular weight 426.11 g/mol. IUPAC: methyl (2S)-3-[4-(diaminomethylideneamino)phenyl]-2-[(4-methylphenyl)sulfonylamino]propanoate;hydrochloride.
Chemical Property Profile of N-tosyl-4-guanidino-L-phenylalanine methyl ester
Property Insights of N-tosyl-4-guanidino-L-phenylalanine methyl ester
The XLogP value of 1.38432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tosyl-4-guanidino-L-phenylalanine methyl ester. The TPSA of 145.0 Ų indicates high polarity, suggesting N-tosyl-4-guanidino-L-phenylalanine methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-tosyl-4-guanidino-L-phenylalanine methyl ester has 4 hydrogen bond donor(s) and 6 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 N-tosyl-4-guanidino-L-phenylalanine methyl ester?
The CAS number of N-tosyl-4-guanidino-L-phenylalanine methyl ester is 6626-68-2.
What is the molecular formula of N-tosyl-4-guanidino-L-phenylalanine methyl ester?
The molecular formula of N-tosyl-4-guanidino-L-phenylalanine methyl ester is C18H23ClN4O4S.
What is the molecular weight of N-tosyl-4-guanidino-L-phenylalanine methyl ester?
The molecular weight of N-tosyl-4-guanidino-L-phenylalanine methyl ester is 426.11 g/mol.
Where can I buy N-tosyl-4-guanidino-L-phenylalanine methyl ester?
You can request a quote for N-tosyl-4-guanidino-L-phenylalanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tosyl-4-guanidino-L-phenylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-tosyl-4-guanidino-L-phenylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.