3-Benzoyl-1,2-dihydro-pyridin-2-one
TL;DR: 3-Benzoyl-1,2-dihydro-pyridin-2-one (CAS 27039-89-0) is a chemical compound with molecular formula C60H67N5O8S2 and molecular weight 1049.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[2-[[2-[[3-benzhydrylsulfanyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetate
Also Known As: 3-Benzoyl-1,2-dihydro-pyridin-2-one, tert-butyl 2-[[2-[[2-[[3-benzhydrylsulfanyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetate, tert-Butyl N-(tert-butoxycarbonyl)-S-(triphenylmethyl)cysteinyl-S-(diphenylmethyl)cysteinylglycylphenylalanylglycinate, Glycine,N-[N-[N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-N-(triphenylmethyl)-L-cysteinyl]-S-(diphenylmethyl)-L-cysteinyl]glycyl]-L-phenylalanyl]-,1,1-dimethylethyl ester (9CI)
| Molecular Formula | C60H67N5O8S2 |
|---|---|
| Molecular Weight | 1049.44 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 27 |
| Exact Mass | 1049.4431 |
| Heavy Atoms | 75 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 27039-89-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CSC(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)OC(C)(C)C |
| InChIKey | POUUZGZYHHMOBY-UHFFFAOYSA-N |
Product Overview
3-Benzoyl-1,2-dihydro-pyridin-2-one (CAS 27039-89-0), with molecular formula C60H67N5O8S2 and molecular weight 1049.44 g/mol. IUPAC: tert-butyl 2-[[2-[[2-[[3-benzhydrylsulfanyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetate.
Chemical Property Profile of 3-Benzoyl-1,2-dihydro-pyridin-2-one
Property Insights of 3-Benzoyl-1,2-dihydro-pyridin-2-one
The XLogP value of 10.4 indicates that 3-Benzoyl-1,2-dihydro-pyridin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 232.0 Ų indicates high polarity, suggesting 3-Benzoyl-1,2-dihydro-pyridin-2-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Benzoyl-1,2-dihydro-pyridin-2-one has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzoyl-1,2-dihydro-pyridin-2-one?
The CAS number of 3-Benzoyl-1,2-dihydro-pyridin-2-one is 27039-89-0.
What is the molecular formula of 3-Benzoyl-1,2-dihydro-pyridin-2-one?
The molecular formula of 3-Benzoyl-1,2-dihydro-pyridin-2-one is C60H67N5O8S2.
What is the molecular weight of 3-Benzoyl-1,2-dihydro-pyridin-2-one?
The molecular weight of 3-Benzoyl-1,2-dihydro-pyridin-2-one is 1049.44 g/mol.
Where can I buy 3-Benzoyl-1,2-dihydro-pyridin-2-one?
You can request a quote for 3-Benzoyl-1,2-dihydro-pyridin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-1,2-dihydro-pyridin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-1,2-dihydro-pyridin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.