C21H30ClNO.ClH
TL;DR: C21H30ClNO.ClH (CAS 78621-08-6) is a chemical compound with molecular formula C21H31Cl2NO and molecular weight 383.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(4-chlorophenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride
Also Known As: 1-((4-(4-Chlorophenyl)-1-oxaspiro(4.5)dec-3-yl)methyl)piperidine hydrochloride, N-piperidinomethyl-3 p-chlorophenyl-4 oxa-1 spiro(4.5)decane chlorhydrate [French], Piperidine, 1-((4-(4-chlorophenyl)-1-oxaspiro(4.5)dec-3-yl)methyl)-, hydrochloride, N-piperidinomethyl-3 p-chlorophenyl-4 oxa-1 spiro(4.5)decane chlorhydrate, 1-[[1-(4-chlorophenyl)-4-oxaspiro[4.5]decan-2-yl]methyl]piperidine hydrochloride
| Molecular Formula | C21H31Cl2NO |
|---|---|
| Molecular Weight | 383.18 g/mol |
| LogP | 5.6806 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.17828 |
| Heavy Atoms | 25 |
| Complexity | 535.332 |
Chemical Identifiers
| CAS Number | 78621-08-6 |
|---|---|
| SMILES | C1CCC2(CC1)C(C(CO2)CN3CCCCC3)C4=CC=C(C=C4)Cl.Cl |
Product Overview
C21H30ClNO.ClH (CAS 78621-08-6), with molecular formula C21H31Cl2NO and molecular weight 383.18 g/mol. IUPAC: 1-[[4-(4-chlorophenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride.
Chemical Property Profile of C21H30ClNO.ClH
Property Insights of C21H30ClNO.ClH
The XLogP value of 5.6806 indicates that C21H30ClNO.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, C21H30ClNO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H30ClNO.ClH has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H30ClNO.ClH?
The CAS number of C21H30ClNO.ClH is 78621-08-6.
What is the molecular formula of C21H30ClNO.ClH?
The molecular formula of C21H30ClNO.ClH is C21H31Cl2NO.
What is the molecular weight of C21H30ClNO.ClH?
The molecular weight of C21H30ClNO.ClH is 383.18 g/mol.
Where can I buy C21H30ClNO.ClH?
You can request a quote for C21H30ClNO.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H30ClNO.ClH?
Yes, KEHONG BIO provides custom synthesis services for C21H30ClNO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.