HAPA-B sulfate
TL;DR: HAPA-B sulfate (CAS 67814-76-0) is a chemical compound with molecular formula C22H43N5O16S-2 and molecular weight 665.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide sulfate
Also Known As: isepamicin sulfate, Isepacin, Exacin, HAPA-B sulfate, Sch 21420 sulfate
| Molecular Formula | C22H43N5O16S-2 |
|---|---|
| Molecular Weight | 665.24 g/mol |
| LogP | -8.8624 |
| Topological Polar Surface Area | 386.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 665.24255 |
| Heavy Atoms | 44 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 67814-76-0 |
|---|---|
| SMILES | C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O.[O-]S(=O)(=O)[O-] |
| InChIKey | DDXRHRXGIWOVDQ-MGAUJLSLSA-L |
Product Overview
HAPA-B sulfate (CAS 67814-76-0), with molecular formula C22H43N5O16S-2 and molecular weight 665.24 g/mol. IUPAC: (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide sulfate.
Chemical Property Profile of HAPA-B sulfate
Property Insights of HAPA-B sulfate
The XLogP value of -8.8624 indicates that HAPA-B sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.0 Ų indicates high polarity, suggesting HAPA-B sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, HAPA-B sulfate has 12 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of HAPA-B sulfate?
The CAS number of HAPA-B sulfate is 67814-76-0.
What is the molecular formula of HAPA-B sulfate?
The molecular formula of HAPA-B sulfate is C22H43N5O16S-2.
What is the molecular weight of HAPA-B sulfate?
The molecular weight of HAPA-B sulfate is 665.24 g/mol.
Where can I buy HAPA-B sulfate?
You can request a quote for HAPA-B sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HAPA-B sulfate?
Yes, KEHONG BIO provides custom synthesis services for HAPA-B sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.