C29-H31-N-O2.Cl-H
TL;DR: C29-H31-N-O2.Cl-H (CAS 10059-68-4) is a chemical compound with molecular formula C29H32ClNO2 and molecular weight 461.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-5-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-ol chloride
Also Known As: 2-Naphthol, 7,8-dihydro-6-phenyl-5-(p-(2-piperidinoethoxy)phenyl)-, hydrochloride, 7,8-Dihydro-6-phenyl-5-(p-(2-piperidinoethoxy)phenyl)-2-naphthol hydrochloride, 6-phenyl-5-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-ol chloride
| Molecular Formula | C29H32ClNO2 |
|---|---|
| Molecular Weight | 461.21 g/mol |
| LogP | 1.75 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.21216 |
| Heavy Atoms | 33 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 10059-68-4 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCOC2=CC=C(C=C2)C3=C(CCC4=C3C=CC(=C4)O)C5=CC=CC=C5.[Cl-] |
| InChIKey | DEFZHHPVVCDADS-UHFFFAOYSA-N |
Product Overview
C29-H31-N-O2.Cl-H (CAS 10059-68-4), with molecular formula C29H32ClNO2 and molecular weight 461.21 g/mol. IUPAC: 6-phenyl-5-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-ol chloride.
Chemical Property Profile of C29-H31-N-O2.Cl-H
Property Insights of C29-H31-N-O2.Cl-H
The XLogP value of 1.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C29-H31-N-O2.Cl-H. With a topological polar surface area (TPSA) of 33.9 Ų, C29-H31-N-O2.Cl-H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C29-H31-N-O2.Cl-H has 2 hydrogen bond donor(s) and 3 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 C29-H31-N-O2.Cl-H?
The CAS number of C29-H31-N-O2.Cl-H is 10059-68-4.
What is the molecular formula of C29-H31-N-O2.Cl-H?
The molecular formula of C29-H31-N-O2.Cl-H is C29H32ClNO2.
What is the molecular weight of C29-H31-N-O2.Cl-H?
The molecular weight of C29-H31-N-O2.Cl-H is 461.21 g/mol.
Where can I buy C29-H31-N-O2.Cl-H?
You can request a quote for C29-H31-N-O2.Cl-H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29-H31-N-O2.Cl-H?
Yes, KEHONG BIO provides custom synthesis services for C29-H31-N-O2.Cl-H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.