Allantoin Biotin
TL;DR: Allantoin Biotin (CAS 4492-73-3) is a chemical compound with molecular formula C14H22N6O6S and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;(2,5-dioxoimidazolidin-4-yl)urea
Also Known As: Allantoin biotin, Allantoinbiotin, ALLANTOIN BIOTIN [INCI], Biotin, compd. with allantoin (1:1), ALLANTOIN, COMPD. WITH BIOTIN (1:1)
| Molecular Formula | C14H22N6O6S |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | -1.383 |
| Topological Polar Surface Area | 191.75 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.13214 |
| Heavy Atoms | 27 |
| Complexity | 631.219 |
Chemical Identifiers
| CAS Number | 4492-73-3 |
|---|---|
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2.C1(C(=O)NC(=O)N1)NC(=O)N |
Product Overview
Allantoin Biotin (CAS 4492-73-3), with molecular formula C14H22N6O6S and molecular weight 402.13 g/mol. IUPAC: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;(2,5-dioxoimidazolidin-4-yl)urea.
Chemical Property Profile of Allantoin Biotin
Property Insights of Allantoin Biotin
The XLogP value of -1.383 indicates that Allantoin Biotin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.75 Ų indicates high polarity, suggesting Allantoin Biotin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Allantoin Biotin has 7 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Allantoin Biotin?
The CAS number of Allantoin Biotin is 4492-73-3.
What is the molecular formula of Allantoin Biotin?
The molecular formula of Allantoin Biotin is C14H22N6O6S.
What is the molecular weight of Allantoin Biotin?
The molecular weight of Allantoin Biotin is 402.13 g/mol.
Where can I buy Allantoin Biotin?
You can request a quote for Allantoin Biotin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allantoin Biotin?
Yes, KEHONG BIO provides custom synthesis services for Allantoin Biotin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.