![benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate structure](/static/products/172/172702-58-8.png)
benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
TL;DR: benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate (CAS 172702-58-8) is a chemical compound with molecular formula C17H22ClNO5 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
Also Known As: Boc-Asp(OBzl)-CMK, Boc-Asp(OBzl)-chloromethylketone, Boc-L-Asp(OBzl)-CMK, HY-W650842, benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
| Molecular Formula | C17H22ClNO5 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 2.8211 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.11865 |
| Heavy Atoms | 24 |
| Complexity | 568.0937 |
Chemical Identifiers
| CAS Number | 172702-58-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)CCl |
Product Overview
benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate (CAS 172702-58-8), with molecular formula C17H22ClNO5 and molecular weight 355.12 g/mol. IUPAC: benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate.
Chemical Property Profile of benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
Property Insights of benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
The XLogP value of 2.8211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate. Following Lipinski's Rule of Five, benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate has 1 hydrogen bond donor(s) and 5 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 benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
The CAS number of benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate is 172702-58-8.
What is the molecular formula of benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
The molecular formula of benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate is C17H22ClNO5.
What is the molecular weight of benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
The molecular weight of benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate is 355.12 g/mol.
Where can I buy benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
You can request a quote for benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.