RefChem:331916
TL;DR: RefChem:331916 (CAS 40951-35-7) is a chemical compound with molecular formula C19H33ClN2O3 and molecular weight 372.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]propyl]azanium chloride
Also Known As: (2-(Pentyloxy)phenyl)carbamic acid 2-(diethylamino)-1-methylethyl ester hydrochloride, diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]propyl]azanium chloride, Carbamic acid, (2-(pentyloxy)phenyl)-, 2-(diethylamino)-1-methylethyl ester, monohydrochloride, Carbanilic acid, o-pentyloxy-, 2-(diethylamino)-1-methylethyl ester, hydrochloride, CARBAMIC ACID, (2-(PENTYLOXY)PHENYL)-, 2-(DIETHYLAMINO)-1-METHYLETHYL ESTER, MON
| Molecular Formula | C19H33ClN2O3 |
|---|---|
| Molecular Weight | 372.22 g/mol |
| LogP | 0.12 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 372.21796 |
| Heavy Atoms | 25 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 40951-35-7 |
|---|---|
| SMILES | CCCCCOC1=CC=CC=C1NC(=O)OC(C)C[NH+](CC)CC.[Cl-] |
| InChIKey | GYLJFFDYMLZLSI-UHFFFAOYSA-N |
Product Overview
RefChem:331916 (CAS 40951-35-7), with molecular formula C19H33ClN2O3 and molecular weight 372.22 g/mol. IUPAC: diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]propyl]azanium chloride.
Chemical Property Profile of RefChem:331916
Property Insights of RefChem:331916
The XLogP value of 0.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331916. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:331916 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331916 has 2 hydrogen bond donor(s) and 4 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:331916?
The CAS number of RefChem:331916 is 40951-35-7.
What is the molecular formula of RefChem:331916?
The molecular formula of RefChem:331916 is C19H33ClN2O3.
What is the molecular weight of RefChem:331916?
The molecular weight of RefChem:331916 is 372.22 g/mol.
Where can I buy RefChem:331916?
You can request a quote for RefChem:331916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331916?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.