SPC 839
TL;DR: SPC 839 (CAS 219773-55-4) is a chemical compound with molecular formula C18H14N4O3S and molecular weight 366.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrole-2,5-dione
Also Known As: SPC 839, SID:76715686, J2.036.694J, 1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)-3-methyl-pyrrole-2,5-dione, 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrole-2,5-dione
| Molecular Formula | C18H14N4O3S |
|---|---|
| Molecular Weight | 366.08 g/mol |
| LogP | 3.0089 |
| Topological Polar Surface Area | 84.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.07867 |
| Heavy Atoms | 26 |
| Complexity | 1059.7384 |
Chemical Identifiers
| CAS Number | 219773-55-4 |
|---|---|
| SMILES | CC1=CC(=O)N(C1=O)NC2=NC(=NC3=C2C(=CC=C3)OC)C4=CC=CS4 |
Product Overview
SPC 839 (CAS 219773-55-4), with molecular formula C18H14N4O3S and molecular weight 366.08 g/mol. IUPAC: 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrole-2,5-dione.
Chemical Property Profile of SPC 839
Property Insights of SPC 839
The XLogP value of 3.0089 indicates that SPC 839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.42 Ų falls within the moderate polarity range, balancing permeability and solubility for SPC 839. Following Lipinski's Rule of Five, SPC 839 has 1 hydrogen bond donor(s) and 7 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 SPC 839?
The CAS number of SPC 839 is 219773-55-4.
What is the molecular formula of SPC 839?
The molecular formula of SPC 839 is C18H14N4O3S.
What is the molecular weight of SPC 839?
The molecular weight of SPC 839 is 366.08 g/mol.
Where can I buy SPC 839?
You can request a quote for SPC 839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SPC 839?
Yes, KEHONG BIO provides custom synthesis services for SPC 839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.