氯普立多卡因甲磺酸盐
TL;DR: 氯普立多卡因甲磺酸盐 (CAS 5066-49-9) is a chemical compound with molecular formula C18H29ClN2O5S and molecular weight 420.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯普立多卡因甲磺酸盐
methanesulfonate;(1-methylpiperidin-1-ium-4-yl) 4-(butylamino)-2-chlorobenzoate
Also Known As: Chloroparidocaine methanesulfonate, Benzoic acid, 4-butylamino-2-chloro-, N-methyl-4-piperidyl ester, methanesulfonate, N-Methyl-4-piperidyl 4-butylamino-2-chlorobenzoate methanesulfonate, 4-Butylamino-2-chlorobenzoic acid N-methyl-4-piperidyl ester methanesulfonate, 4-{[4-(Butylamino)-2-chlorobenzoyl]oxy}-1-methylpiperidin-1-ium methanesulfonate
| Molecular Formula | C18H29ClN2O5S |
|---|---|
| Molecular Weight | 420.15 g/mol |
| LogP | 1.55 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.14856 |
| Heavy Atoms | 27 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 5066-49-9 |
|---|---|
| SMILES | CCCCNC1=CC(=C(C=C1)C(=O)OC2CC[NH+](CC2)C)Cl.CS(=O)(=O)[O-] |
| InChIKey | HOEMGXDLQQOUJN-UHFFFAOYSA-N |
Product Overview
氯普立多卡因甲磺酸盐 (CAS 5066-49-9), with molecular formula C18H29ClN2O5S and molecular weight 420.15 g/mol. IUPAC: methanesulfonate;(1-methylpiperidin-1-ium-4-yl) 4-(butylamino)-2-chlorobenzoate.
Chemical Property Profile of 氯普立多卡因甲磺酸盐
Property Insights of 氯普立多卡因甲磺酸盐
The XLogP value of 1.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯普立多卡因甲磺酸盐. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯普立多卡因甲磺酸盐. Following Lipinski's Rule of Five, 氯普立多卡因甲磺酸盐 has 2 hydrogen bond donor(s) and 6 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 氯普立多卡因甲磺酸盐?
The CAS number of 氯普立多卡因甲磺酸盐 is 5066-49-9.
What is the molecular formula of 氯普立多卡因甲磺酸盐?
The molecular formula of 氯普立多卡因甲磺酸盐 is C18H29ClN2O5S.
What is the molecular weight of 氯普立多卡因甲磺酸盐?
The molecular weight of 氯普立多卡因甲磺酸盐 is 420.15 g/mol.
Where can I buy 氯普立多卡因甲磺酸盐?
You can request a quote for 氯普立多卡因甲磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯普立多卡因甲磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 氯普立多卡因甲磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.