N-ME-Val-obzl P-tosylate
TL;DR: N-ME-Val-obzl P-tosylate (CAS 2044710-41-8) is a chemical compound with molecular formula C20H27NO5S and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-methyl-2-(methylamino)butanoate;4-methylbenzenesulfonic acid
Also Known As: N-Me-D-Val-OBzl.TosOH, N-Me-Val-OBzl TOsOH, N-ME-VAL-OBZL P-TOSYLATE, N-Methyl-L-valine benzyl ester p-toluenesulfonate, N-ALPHA-METHYL-L-VALINE BENZYL ESTER P-TOSYLATE
| Molecular Formula | C20H27NO5S |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 3.21552 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.16098 |
| Heavy Atoms | 27 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 2044710-41-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C(C(=O)OCC1=CC=CC=C1)NC |
| InChIKey | XBFVKORYWHMVCH-UHFFFAOYSA-N |
Product Overview
N-ME-Val-obzl P-tosylate (CAS 2044710-41-8), with molecular formula C20H27NO5S and molecular weight 393.16 g/mol. IUPAC: benzyl 3-methyl-2-(methylamino)butanoate;4-methylbenzenesulfonic acid.
Chemical Property Profile of N-ME-Val-obzl P-tosylate
Property Insights of N-ME-Val-obzl P-tosylate
The XLogP value of 3.21552 indicates that N-ME-Val-obzl P-tosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ME-Val-obzl P-tosylate. Following Lipinski's Rule of Five, N-ME-Val-obzl P-tosylate has 2 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-ME-Val-obzl P-tosylate?
The CAS number of N-ME-Val-obzl P-tosylate is 2044710-41-8.
What is the molecular formula of N-ME-Val-obzl P-tosylate?
The molecular formula of N-ME-Val-obzl P-tosylate is C20H27NO5S.
What is the molecular weight of N-ME-Val-obzl P-tosylate?
The molecular weight of N-ME-Val-obzl P-tosylate is 393.16 g/mol.
Where can I buy N-ME-Val-obzl P-tosylate?
You can request a quote for N-ME-Val-obzl P-tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ME-Val-obzl P-tosylate?
Yes, KEHONG BIO provides custom synthesis services for N-ME-Val-obzl P-tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.