RefChem:331233
TL;DR: RefChem:331233 (CAS 35959-70-7) is a chemical compound with molecular formula C28H33ClN2O3S and molecular weight 512.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-tritylsulfanylpropan-2-yl]azanium chloride
Also Known As: (S-Trityl)-L-cysteinyl-L-valine hydrochloride, L-Cysteinyl-L-valine, (S-trityl)-, hydrochloride, L-Valine, (S-trityl)-L-cysteinyl-, hydrochloride, (S-Triphenylmethyl)-L-cysteinyl-L-valine hydrochloride, 2-(2-Amino(tritylthio)propionamido)-3-methylbutyric acid methyl ester hydrochloride
| Molecular Formula | C28H33ClN2O3S |
|---|---|
| Molecular Weight | 512.19 g/mol |
| LogP | 0.64 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 512.19006 |
| Heavy Atoms | 35 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 35959-70-7 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[NH3+].[Cl-] |
| InChIKey | XQJYLMDTLJPYCM-UHFFFAOYSA-N |
Product Overview
RefChem:331233 (CAS 35959-70-7), with molecular formula C28H33ClN2O3S and molecular weight 512.19 g/mol. IUPAC: [1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-tritylsulfanylpropan-2-yl]azanium chloride.
Chemical Property Profile of RefChem:331233
Property Insights of RefChem:331233
The XLogP value of 0.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331233. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331233. Following Lipinski's Rule of Five, RefChem:331233 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331233?
The CAS number of RefChem:331233 is 35959-70-7.
What is the molecular formula of RefChem:331233?
The molecular formula of RefChem:331233 is C28H33ClN2O3S.
What is the molecular weight of RefChem:331233?
The molecular weight of RefChem:331233 is 512.19 g/mol.
Where can I buy RefChem:331233?
You can request a quote for RefChem:331233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331233?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.