RefChem:1097498
TL;DR: RefChem:1097498 (CAS 39547-23-4) is a chemical compound with molecular formula C19H24N6O4S and molecular weight 432.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;4-(2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)thiomorpholine
Also Known As: 2-Piperazino-4-thiomorpholinopyrido(3,2-d)pyrimidine maleate, 2-(1-Piperazinyl)-4-(4-thiomorpholinyl)pyrido(3,2-d)pyrimidine (Z)-2-butenedioate (1:1), Pyrido(3,2-d)pyrimidine, 2-(1-piperazinyl)-4-(4-thiomorpholinyl)-, (Z)-2-butenedioate (1:1), (Z)-but-2-enedioic acid; 4-(2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)thiomorpholine, RefChem:1097498
| Molecular Formula | C19H24N6O4S |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 0.6994 |
| Topological Polar Surface Area | 131.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.158 |
| Heavy Atoms | 30 |
| Complexity | 897.03284 |
Chemical Identifiers
| CAS Number | 39547-23-4 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=CC=C3.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1097498 (CAS 39547-23-4), with molecular formula C19H24N6O4S and molecular weight 432.16 g/mol. IUPAC: (Z)-but-2-enedioic acid;4-(2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)thiomorpholine.
Chemical Property Profile of RefChem:1097498
Property Insights of RefChem:1097498
The XLogP value of 0.6994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097498. The TPSA of 131.78 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097498. Following Lipinski's Rule of Five, RefChem:1097498 has 3 hydrogen bond donor(s) and 9 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:1097498?
The CAS number of RefChem:1097498 is 39547-23-4.
What is the molecular formula of RefChem:1097498?
The molecular formula of RefChem:1097498 is C19H24N6O4S.
What is the molecular weight of RefChem:1097498?
The molecular weight of RefChem:1097498 is 432.16 g/mol.
Where can I buy RefChem:1097498?
You can request a quote for RefChem:1097498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097498?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.