SPL 334
TL;DR: SPL 334 (CAS 688347-51-5) is a chemical compound with molecular formula C22H15N3O3S2 and molecular weight 433.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
Also Known As: SPL 334, SID:318165620, SPL-334, >=98% (HPLC), J2.754.853I, 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
| Molecular Formula | C22H15N3O3S2 |
|---|---|
| Molecular Weight | 433.06 g/mol |
| LogP | 4.36848 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.05548 |
| Heavy Atoms | 30 |
| Complexity | 1334.4944 |
Chemical Identifiers
| CAS Number | 688347-51-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3)C#N |
Product Overview
SPL 334 (CAS 688347-51-5), with molecular formula C22H15N3O3S2 and molecular weight 433.06 g/mol. IUPAC: 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid.
Chemical Property Profile of SPL 334
Property Insights of SPL 334
The XLogP value of 4.36848 indicates that SPL 334 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for SPL 334. Following Lipinski's Rule of Five, SPL 334 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 SPL 334?
The CAS number of SPL 334 is 688347-51-5.
What is the molecular formula of SPL 334?
The molecular formula of SPL 334 is C22H15N3O3S2.
What is the molecular weight of SPL 334?
The molecular weight of SPL 334 is 433.06 g/mol.
Where can I buy SPL 334?
You can request a quote for SPL 334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SPL 334?
Yes, KEHONG BIO provides custom synthesis services for SPL 334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.