RefChem:1091594
TL;DR: RefChem:1091594 (CAS 63766-34-7) is a chemical compound with molecular formula C23H31ClN2O3S and molecular weight 450.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-methoxy-N-methyl-8-pyrrolidin-1-ium-1-yl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide chloride
Also Known As: N-benzyl-4-methoxy-N-methyl-8-pyrrolidin-1-ium-1-yl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide chloride, Naphthalene-8-sulfonamide, 1,2,3,4-tetrahydro-N-benzyl-5-methoxy-N-methyl-1-(1-pyrrolidinyl)-, hydrochloride, hydrate, NAPHTHALENE-8-SULFONAMIDE, 1,2,3,4-TETRAHYDRO-N-BENZYL-5-METHOXY-N-METHYL-1-(1-P, 1-Naphthalenesulfonamide, 5,6,7,8-tetrahydro-4-methoxy-N-methyl-N-(phenylmethyl)-, hydrochloride, monohydrate, N-Benzyl-4-methoxy-N-methyl-8-(pyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide--hydrogen chloride (1/1)
| Molecular Formula | C23H31ClN2O3S |
|---|---|
| Molecular Weight | 450.17 g/mol |
| LogP | -0.42 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.17438 |
| Heavy Atoms | 30 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 63766-34-7 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)S(=O)(=O)C2=C3C(CCCC3=C(C=C2)OC)[NH+]4CCCC4.[Cl-] |
| InChIKey | SJZFRABFXYEAEQ-UHFFFAOYSA-N |
Product Overview
RefChem:1091594 (CAS 63766-34-7), with molecular formula C23H31ClN2O3S and molecular weight 450.17 g/mol. IUPAC: N-benzyl-4-methoxy-N-methyl-8-pyrrolidin-1-ium-1-yl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide chloride.
Chemical Property Profile of RefChem:1091594
Property Insights of RefChem:1091594
The XLogP value of -0.42 indicates that RefChem:1091594 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.4 Ų, RefChem:1091594 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091594 has 1 hydrogen bond donor(s) and 5 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 RefChem:1091594?
The CAS number of RefChem:1091594 is 63766-34-7.
What is the molecular formula of RefChem:1091594?
The molecular formula of RefChem:1091594 is C23H31ClN2O3S.
What is the molecular weight of RefChem:1091594?
The molecular weight of RefChem:1091594 is 450.17 g/mol.
Where can I buy RefChem:1091594?
You can request a quote for RefChem:1091594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091594?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.