(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride
TL;DR: (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride (CAS 5511-73-9) is a chemical compound with molecular formula C13H12ClNO3 and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride
Also Known As: (S)-N-Phthaloylvalyl chloride, N,N-Phthaloyl-L-valine chloride, (S)-N-Phthaloylvalyl chloride, 98%, J1.147.331H, (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride
| Molecular Formula | C13H12ClNO3 |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 2.0726 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.05057 |
| Heavy Atoms | 18 |
| Complexity | 503.79282 |
Chemical Identifiers
| CAS Number | 5511-73-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)Cl)N1C(=O)C2=CC=CC=C2C1=O |
Product Overview
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride (CAS 5511-73-9), with molecular formula C13H12ClNO3 and molecular weight 265.05 g/mol. IUPAC: (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride.
Chemical Property Profile of (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride
Property Insights of (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride
The XLogP value of 2.0726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride. With a topological polar surface area (TPSA) of 54.45 Ų, (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride has 0 hydrogen bond donor(s) and 3 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 (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride?
The CAS number of (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride is 5511-73-9.
What is the molecular formula of (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride?
The molecular formula of (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride is C13H12ClNO3.
What is the molecular weight of (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride?
The molecular weight of (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride is 265.05 g/mol.
Where can I buy (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride?
You can request a quote for (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.