Carbizocaine hydrochloride
TL;DR: Carbizocaine hydrochloride (CAS 68931-03-3) is a chemical compound with molecular formula C21H37ClN2O3 and molecular weight 400.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[(2-heptoxyphenyl)carbamoyloxy]propyl]azanium chloride
Also Known As: Carbisocaine, Carbizocaine hydrochloride, CARBIZOCAINE HYDROCHLORIDE, (+-)-, diethyl-[2-[(2-heptoxyphenyl)carbamoyloxy]propyl]azanium chloride, o-(Heptyloxy)carbanilic acid 2-(diethylamino)-1-methylethyl ester hydrochloride
| Molecular Formula | C21H37ClN2O3 |
|---|---|
| Molecular Weight | 400.25 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 400.24927 |
| Heavy Atoms | 27 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 68931-03-3 |
|---|---|
| SMILES | CCCCCCCOC1=CC=CC=C1NC(=O)OC(C)C[NH+](CC)CC.[Cl-] |
| InChIKey | JBWMXRJDMMPGCX-UHFFFAOYSA-N |
Product Overview
Carbizocaine hydrochloride (CAS 68931-03-3), with molecular formula C21H37ClN2O3 and molecular weight 400.25 g/mol. IUPAC: diethyl-[2-[(2-heptoxyphenyl)carbamoyloxy]propyl]azanium chloride.
Chemical Property Profile of Carbizocaine hydrochloride
Property Insights of Carbizocaine hydrochloride
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbizocaine hydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, Carbizocaine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbizocaine hydrochloride 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 Carbizocaine hydrochloride?
The CAS number of Carbizocaine hydrochloride is 68931-03-3.
What is the molecular formula of Carbizocaine hydrochloride?
The molecular formula of Carbizocaine hydrochloride is C21H37ClN2O3.
What is the molecular weight of Carbizocaine hydrochloride?
The molecular weight of Carbizocaine hydrochloride is 400.25 g/mol.
Where can I buy Carbizocaine hydrochloride?
You can request a quote for Carbizocaine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbizocaine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbizocaine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.