RefChem:332085
TL;DR: RefChem:332085 (CAS 79763-40-9) is a chemical compound with molecular formula C18H31ClN2O4 and molecular weight 374.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[4-(butoxycarbonylamino)phenoxy]-2-hydroxypropyl]-tert-butylazanium chloride
Also Known As: BL 445, Carbamic acid, (4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, butyl ester, monohydrochloride, [3-[4-(butoxycarbonylamino)phenoxy]-2-hydroxypropyl]-tert-butylazanium chloride
| Molecular Formula | C18H31ClN2O4 |
|---|---|
| Molecular Weight | 374.20 g/mol |
| LogP | -0.86 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 374.19724 |
| Heavy Atoms | 25 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 79763-40-9 |
|---|---|
| SMILES | CCCCOC(=O)NC1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)C)O.[Cl-] |
| InChIKey | XCERDQSERGGOLM-UHFFFAOYSA-N |
Product Overview
RefChem:332085 (CAS 79763-40-9), with molecular formula C18H31ClN2O4 and molecular weight 374.20 g/mol. IUPAC: [3-[4-(butoxycarbonylamino)phenoxy]-2-hydroxypropyl]-tert-butylazanium chloride.
Chemical Property Profile of RefChem:332085
Property Insights of RefChem:332085
The XLogP value of -0.86 indicates that RefChem:332085 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332085. Following Lipinski's Rule of Five, RefChem:332085 has 3 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:332085?
The CAS number of RefChem:332085 is 79763-40-9.
What is the molecular formula of RefChem:332085?
The molecular formula of RefChem:332085 is C18H31ClN2O4.
What is the molecular weight of RefChem:332085?
The molecular weight of RefChem:332085 is 374.20 g/mol.
Where can I buy RefChem:332085?
You can request a quote for RefChem:332085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332085?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.