PCA 4248
TL;DR: PCA 4248 (CAS 123875-01-4) is a chemical compound with molecular formula C19H23NO4S and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
PCA 4248
3-O-methyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: PTEMC, Pca 4248, TIAPAFANT, Pca-4248; PTEMC;, KBio2_000334
| Molecular Formula | C19H23NO4S |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.13477 |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 123875-01-4 |
|---|---|
| SMILES | CC1C(=C(NC(=C1C(=O)OCCSC2=CC=CC=C2)C)C)C(=O)OC |
| InChIKey | DHCNAWNKZMNTIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PCA 4248 (CAS 123875-01-4), with molecular formula C19H23NO4S and molecular weight 361.13 g/mol. IUPAC: 3-O-methyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of PCA 4248
Property Insights of PCA 4248
The XLogP value of 3.6 indicates that PCA 4248 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for PCA 4248. Following Lipinski's Rule of Five, PCA 4248 has 1 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 PCA 4248?
The CAS number of PCA 4248 is 123875-01-4.
What is the molecular formula of PCA 4248?
The molecular formula of PCA 4248 is C19H23NO4S.
What is the molecular weight of PCA 4248?
The molecular weight of PCA 4248 is 361.13 g/mol.
Where can I buy PCA 4248?
You can request a quote for PCA 4248 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PCA 4248?
Yes, KEHONG BIO provides custom synthesis services for PCA 4248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.