N-pyridoxylidene-3-aminotetrahydrothiophene-2-one
TL;DR: N-pyridoxylidene-3-aminotetrahydrothiophene-2-one (CAS 122886-30-0) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]thiolan-2-one
Also Known As: N-pyridoxylidene-3-aminotetrahydrothiophene-2-one, N-(2-Methyl-3-hydroxy-5-hydroxymethyl-4-pyridylmethylidene)-homocysteine thiolactone, 2(3H)-Thiophenone, dihydro-3-(((3-hydroxy-5-(hydroxymethyl)-6-methyl-4-pyridyl)methylene)amino)-, (4E)-5-(hydroxymethyl)-2-methyl-4-[[(2-oxothiolan-3-yl)amino]methylidene]pyridin-3-one
| Molecular Formula | C12H14N2O3S |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0725 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 122886-30-0 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C=NC2CCSC2=O)CO |
| InChIKey | DVQYUHGRYCHNQH-UHFFFAOYSA-N |
Product Overview
N-pyridoxylidene-3-aminotetrahydrothiophene-2-one (CAS 122886-30-0), with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol. IUPAC: 3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]thiolan-2-one.
Chemical Property Profile of N-pyridoxylidene-3-aminotetrahydrothiophene-2-one
Property Insights of N-pyridoxylidene-3-aminotetrahydrothiophene-2-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-pyridoxylidene-3-aminotetrahydrothiophene-2-one. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-pyridoxylidene-3-aminotetrahydrothiophene-2-one. Following Lipinski's Rule of Five, N-pyridoxylidene-3-aminotetrahydrothiophene-2-one has 2 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-pyridoxylidene-3-aminotetrahydrothiophene-2-one?
The CAS number of N-pyridoxylidene-3-aminotetrahydrothiophene-2-one is 122886-30-0.
What is the molecular formula of N-pyridoxylidene-3-aminotetrahydrothiophene-2-one?
The molecular formula of N-pyridoxylidene-3-aminotetrahydrothiophene-2-one is C12H14N2O3S.
What is the molecular weight of N-pyridoxylidene-3-aminotetrahydrothiophene-2-one?
The molecular weight of N-pyridoxylidene-3-aminotetrahydrothiophene-2-one is 266.07 g/mol.
Where can I buy N-pyridoxylidene-3-aminotetrahydrothiophene-2-one?
You can request a quote for N-pyridoxylidene-3-aminotetrahydrothiophene-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-pyridoxylidene-3-aminotetrahydrothiophene-2-one?
Yes, KEHONG BIO provides custom synthesis services for N-pyridoxylidene-3-aminotetrahydrothiophene-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.