RefChem:77083
TL;DR: RefChem:77083 (CAS 18602-17-0) is a chemical compound with molecular formula C21H47NO8S and molecular weight 473.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-dodecoxy-2-hydroxypropyl)-bis(2-hydroxyethyl)-methylazanium;methyl sulfate
Also Known As: N-3-Dimethylaminopropylsuccinimide, (3-(Dodecyloxy)-2-hydroxypropyl)bis(2-hydroxyethyl)methylammonium methyl sulphate, [3-(dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium methyl sulphate, (3-dodecoxy-2-hydroxypropyl)-bis(2-hydroxyethyl)-methylazanium;methyl sulfate, 1-Propanaminium, 3-(dodecyloxy)-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (salt)
| Molecular Formula | C21H47NO8S |
|---|---|
| Molecular Weight | 473.30 g/mol |
| LogP | 1.81 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 473.30225 |
| Heavy Atoms | 31 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 18602-17-0 |
|---|---|
| SMILES | CCCCCCCCCCCCOCC(C[N+](C)(CCO)CCO)O.COS(=O)(=O)[O-] |
| InChIKey | PHLIZCDUCLCAEQ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:77083 (CAS 18602-17-0), with molecular formula C21H47NO8S and molecular weight 473.30 g/mol. IUPAC: (3-dodecoxy-2-hydroxypropyl)-bis(2-hydroxyethyl)-methylazanium;methyl sulfate.
Chemical Property Profile of RefChem:77083
Property Insights of RefChem:77083
The XLogP value of 1.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:77083. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:77083 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:77083 has 3 hydrogen bond donor(s) and 8 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:77083?
The CAS number of RefChem:77083 is 18602-17-0.
What is the molecular formula of RefChem:77083?
The molecular formula of RefChem:77083 is C21H47NO8S.
What is the molecular weight of RefChem:77083?
The molecular weight of RefChem:77083 is 473.30 g/mol.
Where can I buy RefChem:77083?
You can request a quote for RefChem:77083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77083?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.