RefChem:319245
TL;DR: RefChem:319245 (CAS 13002-44-3) is a chemical compound with molecular formula C28H37NO5S and molecular weight 499.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methylazanium;4-methylbenzenesulfonate
Also Known As: 2-(3-(Diethylamino)propoxy)benzhydrol methyl toluenesulfonate, Benzhydrol, 2-(3-(diethylamino)propoxy)-, methyl toluenesulfonate, Diethyl(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)methylammonium toluenesulfonate, Ammonium, diethyl(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)methyl-, toluenesulfonate, diethyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methylazanium; 4-methylbenzenesulfonate
| Molecular Formula | C28H37NO5S |
|---|---|
| Molecular Weight | 499.24 g/mol |
| LogP | 4.92272 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.23926 |
| Heavy Atoms | 35 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 13002-44-3 |
|---|---|
| SMILES | CC[N+](C)(CC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | DNFKPUIYXYVMMH-UHFFFAOYSA-M |
Product Overview
RefChem:319245 (CAS 13002-44-3), with molecular formula C28H37NO5S and molecular weight 499.24 g/mol. IUPAC: diethyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:319245
Property Insights of RefChem:319245
The XLogP value of 4.92272 indicates that RefChem:319245 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319245. Following Lipinski's Rule of Five, RefChem:319245 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:319245?
The CAS number of RefChem:319245 is 13002-44-3.
What is the molecular formula of RefChem:319245?
The molecular formula of RefChem:319245 is C28H37NO5S.
What is the molecular weight of RefChem:319245?
The molecular weight of RefChem:319245 is 499.24 g/mol.
Where can I buy RefChem:319245?
You can request a quote for RefChem:319245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319245?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.