Valine thiazole
TL;DR: Valine thiazole (CAS 117076-27-4) is a chemical compound with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1R)-2-methyl-1-(phenylmethoxycarbonylamino)propyl]-1,3-thiazole-4-carboxylate
Also Known As: Valine thiazole, D-Val thiazole, D-Val-thz, 3-Amino-oxoindol, ethyl 2-[(1R)-2-methyl-1-(phenylmethoxycarbonylamino)propyl]-1,3-thiazole-4-carboxylate
| Molecular Formula | C18H22N2O4S |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 3.9433 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.13004 |
| Heavy Atoms | 25 |
| Complexity | 700.11145 |
Chemical Identifiers
| CAS Number | 117076-27-4 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)[C@@H](C(C)C)NC(=O)OCC2=CC=CC=C2 |
Product Overview
Valine thiazole (CAS 117076-27-4), with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol. IUPAC: ethyl 2-[(1R)-2-methyl-1-(phenylmethoxycarbonylamino)propyl]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Valine thiazole
Property Insights of Valine thiazole
The XLogP value of 3.9433 indicates that Valine thiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Valine thiazole. Following Lipinski's Rule of Five, Valine thiazole has 1 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 Valine thiazole?
The CAS number of Valine thiazole is 117076-27-4.
What is the molecular formula of Valine thiazole?
The molecular formula of Valine thiazole is C18H22N2O4S.
What is the molecular weight of Valine thiazole?
The molecular weight of Valine thiazole is 362.13 g/mol.
Where can I buy Valine thiazole?
You can request a quote for Valine thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valine thiazole?
Yes, KEHONG BIO provides custom synthesis services for Valine thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.