(3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol
TL;DR: (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol (CAS 118787-53-4) is a chemical compound with molecular formula C11H15NO3S and molecular weight 241.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol
Also Known As: (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol, BAS 01320211, AE-848/32730031, (3S,4S)-3-(benzylamino)-4-hydroxy-1lambda6-thiolane-1,1-dione, F6545-4991
| Molecular Formula | C11H15NO3S |
|---|---|
| Molecular Weight | 241.08 g/mol |
| LogP | -0.0659 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.07727 |
| Heavy Atoms | 16 |
| Complexity | 443.55728 |
Chemical Identifiers
| CAS Number | 118787-53-4 |
|---|---|
| SMILES | C1[C@H]([C@@H](CS1(=O)=O)O)NCC2=CC=CC=C2 |
Product Overview
(3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol (CAS 118787-53-4), with molecular formula C11H15NO3S and molecular weight 241.08 g/mol. IUPAC: (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol.
Chemical Property Profile of (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol
Property Insights of (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol
The XLogP value of -0.0659 indicates that (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol. Following Lipinski's Rule of Five, (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol has 2 hydrogen bond donor(s) and 4 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 (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol?
The CAS number of (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol is 118787-53-4.
What is the molecular formula of (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol?
The molecular formula of (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol is C11H15NO3S.
What is the molecular weight of (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol?
The molecular weight of (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol is 241.08 g/mol.
Where can I buy (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol?
You can request a quote for (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for (3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.