Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate
TL;DR: Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate (CAS 63680-25-1) is a chemical compound with molecular formula C17H27N3O5S and molecular weight 385.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl carbamimidothioate;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
Also Known As: USAF NO-1, S-Benzylisothiouronium pantothenate, Pseudourea, 2-thio-, S-benzyl-, pantothenate, Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate, benzyl carbamimidothioate; 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
| Molecular Formula | C17H27N3O5S |
|---|---|
| Molecular Weight | 385.17 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 385.16714 |
| Heavy Atoms | 26 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 63680-25-1 |
|---|---|
| SMILES | CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O.C1=CC=C(C=C1)CSC(=N)N |
| InChIKey | WOLVOTZYCARNEJ-FJXQXJEOSA-N |
Product Overview
Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate (CAS 63680-25-1), with molecular formula C17H27N3O5S and molecular weight 385.17 g/mol. IUPAC: benzyl carbamimidothioate;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid.
Chemical Property Profile of Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate
Property Insights of Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate. The TPSA of 182.0 Ų indicates high polarity, suggesting Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate?
The CAS number of Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate is 63680-25-1.
What is the molecular formula of Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate?
The molecular formula of Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate is C17H27N3O5S.
What is the molecular weight of Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate?
The molecular weight of Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate is 385.17 g/mol.
Where can I buy Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate?
You can request a quote for Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.