MixCom6_001801
TL;DR: MixCom6_001801 (CAS 337341-40-9) is a chemical compound with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]-N-phenylpiperidine-1-carbothioamide
Also Known As: MixCom6_001801, BAS 01257370, BIM-0032028.P001, 1,3-dimethyl-5-{[({1-[(phenylamino)thioxomethyl](4-piperidyl)}methyl)amino]met hylene}-1,3-dihydropyrimidine-2,4,6-trione, 4-((((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)methyl)-N-phenylpiperidine-1-carbothioamide
| Molecular Formula | C20H25N5O3S |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 1.3175 |
| Topological Polar Surface Area | 91.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.16782 |
| Heavy Atoms | 29 |
| Complexity | 1020.8927 |
Chemical Identifiers
| CAS Number | 337341-40-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=NCC2CCN(CC2)C(=S)NC3=CC=CC=C3)O |
Product Overview
MixCom6_001801 (CAS 337341-40-9), with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol. IUPAC: 4-[[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]-N-phenylpiperidine-1-carbothioamide.
Chemical Property Profile of MixCom6_001801
Property Insights of MixCom6_001801
The XLogP value of 1.3175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_001801. The TPSA of 91.86 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001801. Following Lipinski's Rule of Five, MixCom6_001801 has 2 hydrogen bond donor(s) and 5 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 MixCom6_001801?
The CAS number of MixCom6_001801 is 337341-40-9.
What is the molecular formula of MixCom6_001801?
The molecular formula of MixCom6_001801 is C20H25N5O3S.
What is the molecular weight of MixCom6_001801?
The molecular weight of MixCom6_001801 is 415.17 g/mol.
Where can I buy MixCom6_001801?
You can request a quote for MixCom6_001801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001801?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.