Bendacalol mesylate
TL;DR: Bendacalol mesylate (CAS 81737-62-4) is a chemical compound with molecular formula C21H27NO9S and molecular weight 469.14066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-hydroxyethyl]amino]ethanol;methanesulfonic acid
Also Known As: Bendacalol mesylate, Bendacalol mesylate [USAN], Cgs 10078B, (alphaR,alpha'S,2S,2'R)-alpha,alpha'-(Iminodimethylene)bis(1,4-benzodioxan-2-methanol)methanesulfonate (salt), 1,4-Benzodioxin-2-methanol, alpha,alpha'-(iminobis(methylene))bis(2,3-dihydro)-, stereoisomer, methanesulfonate (salt)
Technical Specifications
| Molecular Formula | C21H27NO9S |
| Molecular Weight | 469.14066 g/mol |
| XLogP | 0.48 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.14066 Da |
| Heavy Atoms | 32 |
| Complexity | 518.0 |
| SMILES | CS(=O)(=O)O.C1[C@H](OC2=CC=CC=C2O1)C(CNCC([C@@H]3COC4=CC=CC=C4O3)O)O |
| InChIKey | TWESTNYMJIMXRF-PCKGKAHBSA-N |
Chemical Property Profile of Bendacalol mesylate
Property Insights of Bendacalol mesylate
The XLogP value of 0.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bendacalol mesylate. The TPSA of 152.0 Ų indicates high polarity, suggesting Bendacalol mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bendacalol mesylate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bendacalol mesylate?
The CAS number of Bendacalol mesylate is 81737-62-4.
What is the molecular formula of Bendacalol mesylate?
The molecular formula of Bendacalol mesylate is C21H27NO9S.
What is the molecular weight of Bendacalol mesylate?
The molecular weight of Bendacalol mesylate is 469.14066 g/mol.
Where can I buy Bendacalol mesylate?
You can request a quote for Bendacalol mesylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bendacalol mesylate?
Yes, CoreyChem provides custom synthesis services for Bendacalol mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.