n-Pentylsparsomycin
TL;DR: n-Pentylsparsomycin (CAS 114991-34-3) is a chemical compound with molecular formula C16H25N3O5S2 and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-1-hydroxy-3-[(R)-pentylsulfanylmethylsulfinyl]propan-2-yl]prop-2-enamide
Also Known As: n-Pentylsparsomycin, n-PSm, (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-1-hydroxy-3-[(R)-pentylsulfanylmethylsulfinyl]propan-2-yl]prop-2-enamide, 2-Propenamide, N-(1-(hydroxymethyl)-2-(((pentylthio)methyl)sulfinyl)ethyl)-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-, (R-(R*,S*-(E)))-, 2-Propenamide,N-(1-(hydroxymethyl)-2-(((pentylthio)methyl)sulfinyl)ethyl)-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-,(R-(R*,S*-(E)))
| Molecular Formula | C16H25N3O5S2 |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 0.1831 |
| Topological Polar Surface Area | 132.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 403.12357 |
| Heavy Atoms | 26 |
| Complexity | 729.0857 |
Chemical Identifiers
| CAS Number | 114991-34-3 |
|---|---|
| SMILES | CCCCCSC[S@](=O)C[C@H](CO)NC(=O)/C=C/C1=CNC(=O)NC1=O |
Product Overview
n-Pentylsparsomycin (CAS 114991-34-3), with molecular formula C16H25N3O5S2 and molecular weight 403.12 g/mol. IUPAC: (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-1-hydroxy-3-[(R)-pentylsulfanylmethylsulfinyl]propan-2-yl]prop-2-enamide.
Chemical Property Profile of n-Pentylsparsomycin
Property Insights of n-Pentylsparsomycin
The XLogP value of 0.1831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Pentylsparsomycin. The TPSA of 132.12 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Pentylsparsomycin. Following Lipinski's Rule of Five, n-Pentylsparsomycin has 4 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 n-Pentylsparsomycin?
The CAS number of n-Pentylsparsomycin is 114991-34-3.
What is the molecular formula of n-Pentylsparsomycin?
The molecular formula of n-Pentylsparsomycin is C16H25N3O5S2.
What is the molecular weight of n-Pentylsparsomycin?
The molecular weight of n-Pentylsparsomycin is 403.12 g/mol.
Where can I buy n-Pentylsparsomycin?
You can request a quote for n-Pentylsparsomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Pentylsparsomycin?
Yes, KEHONG BIO provides custom synthesis services for n-Pentylsparsomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.