RefChem:316051
TL;DR: RefChem:316051 (CAS 95546-93-3) is a chemical compound with molecular formula C13H19N5O2S and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide
Also Known As: (6-Morpholinopyrimidin-4-ylthio)acetoisopropylidenehydrazide, Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, (1-methylethylidene)hydrazide, ((6-(4-Morpholinyl)-4-pyrimidinyl)thio)acetic acid (1-methylethylidene)hydrazide, 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide, 2-{[6-(Morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-N'-(propan-2-ylidene)acetohydrazide
| Molecular Formula | C13H19N5O2S |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.12595 |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 95546-93-3 |
|---|---|
| SMILES | CC(=NNC(=O)CSC1=NC=NC(=C1)N2CCOCC2)C |
| InChIKey | JJCPDGXCWWLOAI-UHFFFAOYSA-N |
Product Overview
RefChem:316051 (CAS 95546-93-3), with molecular formula C13H19N5O2S and molecular weight 309.13 g/mol. IUPAC: 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide.
Chemical Property Profile of RefChem:316051
Property Insights of RefChem:316051
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316051. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316051. Following Lipinski's Rule of Five, RefChem:316051 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 RefChem:316051?
The CAS number of RefChem:316051 is 95546-93-3.
What is the molecular formula of RefChem:316051?
The molecular formula of RefChem:316051 is C13H19N5O2S.
What is the molecular weight of RefChem:316051?
The molecular weight of RefChem:316051 is 309.13 g/mol.
Where can I buy RefChem:316051?
You can request a quote for RefChem:316051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316051?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.