AN-212/13751100
TL;DR: AN-212/13751100 (CAS 304432-91-5) is a chemical compound with molecular formula C19H31NO4S and molecular weight 369.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol
Also Known As: AN-212/13751100, (3R)-4-[(3,5-di-tert-butyl-4-hydroxybenzyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide, (3R)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol, (4R)-3-((3,5-di-tert-butyl-4-hydroxybenzyl)amino)-4-hydroxytetrahydrothiophene 1,1-dioxide, 4-[(3,5-ditert-butyl-4-hydroxybenzyl)amino]tetrahydro-3-thiophenol 1,1-dioxide
| Molecular Formula | C19H31NO4S |
|---|---|
| Molecular Weight | 369.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.1974 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 304432-91-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC2CS(=O)(=O)C[C@@H]2O |
| InChIKey | IYIYTHBFRQYSPT-LYKKTTPLSA-N |
Product Overview
AN-212/13751100 (CAS 304432-91-5), with molecular formula C19H31NO4S and molecular weight 369.20 g/mol. IUPAC: (3R)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol.
Chemical Property Profile of AN-212/13751100
Property Insights of AN-212/13751100
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-212/13751100. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-212/13751100. Following Lipinski's Rule of Five, AN-212/13751100 has 3 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 AN-212/13751100?
The CAS number of AN-212/13751100 is 304432-91-5.
What is the molecular formula of AN-212/13751100?
The molecular formula of AN-212/13751100 is C19H31NO4S.
What is the molecular weight of AN-212/13751100?
The molecular weight of AN-212/13751100 is 369.20 g/mol.
Where can I buy AN-212/13751100?
You can request a quote for AN-212/13751100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-212/13751100?
Yes, KEHONG BIO provides custom synthesis services for AN-212/13751100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.