SIB-1553A
TL;DR: SIB-1553A (CAS 191611-76-4) is a chemical compound with molecular formula C13H19NOS and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
SIB-1553A
4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol
Also Known As: SIB-1553A (free base), 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol, 4-[[2-(1-methyl-2-pyrrolidinyl)ethyl]thio]phenol, 4-{[2-(1-Methylpyrrolidin-2-yl)ethyl]sulfanyl}phenol, J1.617.849G
| Molecular Formula | C13H19NOS |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 2.9686 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.11873 |
| Heavy Atoms | 16 |
| Complexity | 325.2094 |
Chemical Identifiers
| CAS Number | 191611-76-4 |
|---|---|
| SMILES | CN1CCCC1CCSC2=CC=C(C=C2)O |
Product Overview
SIB-1553A (CAS 191611-76-4), with molecular formula C13H19NOS and molecular weight 237.12 g/mol. IUPAC: 4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol.
Chemical Property Profile of SIB-1553A
Property Insights of SIB-1553A
The XLogP value of 2.9686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SIB-1553A. With a topological polar surface area (TPSA) of 23.47 Ų, SIB-1553A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SIB-1553A has 1 hydrogen bond donor(s) and 3 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 SIB-1553A?
The CAS number of SIB-1553A is 191611-76-4.
What is the molecular formula of SIB-1553A?
The molecular formula of SIB-1553A is C13H19NOS.
What is the molecular weight of SIB-1553A?
The molecular weight of SIB-1553A is 237.12 g/mol.
Where can I buy SIB-1553A?
You can request a quote for SIB-1553A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SIB-1553A?
Yes, KEHONG BIO provides custom synthesis services for SIB-1553A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.