(S)-(+)-allantoin
TL;DR: (S)-(+)-allantoin (CAS 3844-67-5) is a chemical compound with molecular formula C4H6N4O3 and molecular weight 158.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S)-2,5-dioxoimidazolidin-4-yl]urea
Also Known As: (S)-(+)-allantoin, S-(+)-Allantoin, allantoin, (+)-Allantoin, (S)-Allantoin
| Molecular Formula | C4H6N4O3 |
|---|---|
| Molecular Weight | 158.04 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.04399 |
| Heavy Atoms | 11 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 3844-67-5 |
|---|---|
| SMILES | [C@H]1(C(=O)NC(=O)N1)NC(=O)N |
| InChIKey | POJWUDADGALRAB-SFOWXEAESA-N |
Product Overview
(S)-(+)-allantoin (CAS 3844-67-5), with molecular formula C4H6N4O3 and molecular weight 158.04 g/mol. IUPAC: [(4S)-2,5-dioxoimidazolidin-4-yl]urea.
Chemical Property Profile of (S)-(+)-allantoin
Property Insights of (S)-(+)-allantoin
The XLogP value of -2.2 indicates that (S)-(+)-allantoin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-(+)-allantoin. Following Lipinski's Rule of Five, (S)-(+)-allantoin has 4 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 (S)-(+)-allantoin?
The CAS number of (S)-(+)-allantoin is 3844-67-5.
What is the molecular formula of (S)-(+)-allantoin?
The molecular formula of (S)-(+)-allantoin is C4H6N4O3.
What is the molecular weight of (S)-(+)-allantoin?
The molecular weight of (S)-(+)-allantoin is 158.04 g/mol.
Where can I buy (S)-(+)-allantoin?
You can request a quote for (S)-(+)-allantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-(+)-allantoin?
Yes, KEHONG BIO provides custom synthesis services for (S)-(+)-allantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.