RefChem:1051431
TL;DR: RefChem:1051431 (CAS 4059-22-7) is a chemical compound with molecular formula C29H31NO5 and molecular weight 473.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,1-diphenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol;oxalic acid
Also Known As: 3,6-Dihydro-beta-methyl-alpha,alpha,4-triphenyl-1(2H)-pyridinepropanol oxalate hydrate, 1(2H)-Pyridinepropanol, 3,6-dihydro-beta-methyl-alpha,alpha,4-triphenyl-, oxalate, hydrate, 2-methyl-1,1-diphenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol; oxalic acid, Oxalic acid--2-methyl-1,1-diphenyl-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propan-1-ol (1/1), RefChem:1051431
| Molecular Formula | C29H31NO5 |
|---|---|
| Molecular Weight | 473.22 g/mol |
| LogP | 4.5035 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.2202 |
| Heavy Atoms | 35 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 4059-22-7 |
|---|---|
| SMILES | CC(CN1CCC(=CC1)C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.C(=O)(C(=O)O)O |
| InChIKey | KUQBYSRWVPUVAT-UHFFFAOYSA-N |
Product Overview
RefChem:1051431 (CAS 4059-22-7), with molecular formula C29H31NO5 and molecular weight 473.22 g/mol. IUPAC: 2-methyl-1,1-diphenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol;oxalic acid.
Chemical Property Profile of RefChem:1051431
Property Insights of RefChem:1051431
The XLogP value of 4.5035 indicates that RefChem:1051431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1051431. Following Lipinski's Rule of Five, RefChem:1051431 has 3 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 RefChem:1051431?
The CAS number of RefChem:1051431 is 4059-22-7.
What is the molecular formula of RefChem:1051431?
The molecular formula of RefChem:1051431 is C29H31NO5.
What is the molecular weight of RefChem:1051431?
The molecular weight of RefChem:1051431 is 473.22 g/mol.
Where can I buy RefChem:1051431?
You can request a quote for RefChem:1051431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1051431?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1051431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.