RefChem:321508
TL;DR: RefChem:321508 (CAS 98526-94-4) is a chemical compound with molecular formula C16H24Br2N2O6S and molecular weight 529.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-hydroxy-6-methoxybenzamide;methanesulfonate
Also Known As: Benzamide, 3,5-dibromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (S)-, monomethanesulfonate (salt), 3,5-dibromo-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-hydroxy-6-methoxybenzamide; methanesulfonate, BENZAMIDE, 3,5-DIBROMO-N-((1-ETHYL-2-PYRROLIDINYL)METHYL)-2-HYDROXY-6-METHOXY-,, (2S)-2-[(3,5-Dibromo-2-hydroxy-6-methoxybenzamido)methyl]-1-ethylpyrrolidin-1-ium methanesulfonate, RefChem:321508
| Molecular Formula | C16H24Br2N2O6S |
|---|---|
| Molecular Weight | 529.97 g/mol |
| LogP | 0.88 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.97015 |
| Heavy Atoms | 27 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 98526-94-4 |
|---|---|
| SMILES | CC[NH+]1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2OC)Br)Br)O.CS(=O)(=O)[O-] |
| InChIKey | DWAVWJJNKXRXSF-FVGYRXGTSA-N |
Product Overview
RefChem:321508 (CAS 98526-94-4), with molecular formula C16H24Br2N2O6S and molecular weight 529.97 g/mol. IUPAC: 3,5-dibromo-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-hydroxy-6-methoxybenzamide;methanesulfonate.
Chemical Property Profile of RefChem:321508
Property Insights of RefChem:321508
The XLogP value of 0.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:321508. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321508. Following Lipinski's Rule of Five, RefChem:321508 has 3 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 RefChem:321508?
The CAS number of RefChem:321508 is 98526-94-4.
What is the molecular formula of RefChem:321508?
The molecular formula of RefChem:321508 is C16H24Br2N2O6S.
What is the molecular weight of RefChem:321508?
The molecular weight of RefChem:321508 is 529.97 g/mol.
Where can I buy RefChem:321508?
You can request a quote for RefChem:321508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321508?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.