SC-435 mesylate
TL;DR: SC-435 mesylate (CAS 289037-67-8) is a chemical compound with molecular formula C37H59N3O7S2 and molecular weight 721.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R)-5-[4-[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)butoxy]phenyl]-3,3-dibutyl-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-4-ol;methanesulfonate
Also Known As: SC-435 mesylate, (4R,5R)-5-[4-[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)butoxy]phenyl]-3,3-dibutyl-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1, E6-benzothiepin-4-ol;methanesulfonate, 1-[4-[4[(4r,5r)-3,3-dibutyl-7-(dimethylamino)-2,3,4,5-tetrahydro-4-hydroxy-1,1-dioxido-1-benzothiepin-5-yl]phenoxy]butyl]-4-aza-1-azoniabicyclo[2.2.2]octane methanesulfonate, (4R,5R)-5-[4-[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)butoxy]phenyl]-3,3-dibutyl-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1
| Molecular Formula | C37H59N3O7S2 |
|---|---|
| Molecular Weight | 721.38 g/mol |
| LogP | 4.8659 |
| Topological Polar Surface Area | 127.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 721.37946 |
| Heavy Atoms | 49 |
| Complexity | 1541.5776 |
Chemical Identifiers
| CAS Number | 289037-67-8 |
|---|---|
| SMILES | CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC=C(C=C3)OCCCC[N+]45CCN(CC4)CC5)CCCC.CS(=O)(=O)[O-] |
Product Overview
SC-435 mesylate (CAS 289037-67-8), with molecular formula C37H59N3O7S2 and molecular weight 721.38 g/mol. IUPAC: (4R,5R)-5-[4-[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)butoxy]phenyl]-3,3-dibutyl-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-4-ol;methanesulfonate.
Chemical Property Profile of SC-435 mesylate
Property Insights of SC-435 mesylate
The XLogP value of 4.8659 indicates that SC-435 mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.28 Ų falls within the moderate polarity range, balancing permeability and solubility for SC-435 mesylate. Following Lipinski's Rule of Five, SC-435 mesylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SC-435 mesylate?
The CAS number of SC-435 mesylate is 289037-67-8.
What is the molecular formula of SC-435 mesylate?
The molecular formula of SC-435 mesylate is C37H59N3O7S2.
What is the molecular weight of SC-435 mesylate?
The molecular weight of SC-435 mesylate is 721.38 g/mol.
Where can I buy SC-435 mesylate?
You can request a quote for SC-435 mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SC-435 mesylate?
Yes, KEHONG BIO provides custom synthesis services for SC-435 mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.