bromoacetyl-S-pantetheine 11-pivalate
TL;DR: bromoacetyl-S-pantetheine 11-pivalate (CAS 105514-56-5) is a chemical compound with molecular formula C18H31BrN2O6S and molecular weight 482.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R)-4-[[3-[2-(2-bromoacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 2,2-dimethylpropanoate
Also Known As: Brac-S-pan, Bromoacetyl-S-pantetheine 11-pivalate, [(3R)-4-[[3-[2-(2-bromoacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 2,2-dimethylpropanoate, (2R)-N-[3-({2-[(Bromoacetyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]-4-[(2,2-dimethylpropanoyl)oxy]-2-hydroxy-3,3-dimethylbutanimidic acid, N-[3-({2-[(Bromoacetyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]-4-[(2,2-dimethylpropanoyl)oxy]-2-hydroxy-3,3-dimethylbutanimidic acid
| Molecular Formula | C18H31BrN2O6S |
|---|---|
| Molecular Weight | 482.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 482.1086 |
| Heavy Atoms | 28 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 105514-56-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCSC(=O)CBr)O |
| InChIKey | LFFLFOKPBPEUNL-AWEZNQCLSA-N |
Product Overview
bromoacetyl-S-pantetheine 11-pivalate (CAS 105514-56-5), with molecular formula C18H31BrN2O6S and molecular weight 482.11 g/mol. IUPAC: [(3R)-4-[[3-[2-(2-bromoacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 2,2-dimethylpropanoate.
Chemical Property Profile of bromoacetyl-S-pantetheine 11-pivalate
Property Insights of bromoacetyl-S-pantetheine 11-pivalate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for bromoacetyl-S-pantetheine 11-pivalate. The TPSA of 147.0 Ų indicates high polarity, suggesting bromoacetyl-S-pantetheine 11-pivalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, bromoacetyl-S-pantetheine 11-pivalate has 3 hydrogen bond donor(s) and 7 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 bromoacetyl-S-pantetheine 11-pivalate?
The CAS number of bromoacetyl-S-pantetheine 11-pivalate is 105514-56-5.
What is the molecular formula of bromoacetyl-S-pantetheine 11-pivalate?
The molecular formula of bromoacetyl-S-pantetheine 11-pivalate is C18H31BrN2O6S.
What is the molecular weight of bromoacetyl-S-pantetheine 11-pivalate?
The molecular weight of bromoacetyl-S-pantetheine 11-pivalate is 482.11 g/mol.
Where can I buy bromoacetyl-S-pantetheine 11-pivalate?
You can request a quote for bromoacetyl-S-pantetheine 11-pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bromoacetyl-S-pantetheine 11-pivalate?
Yes, KEHONG BIO provides custom synthesis services for bromoacetyl-S-pantetheine 11-pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.