MixCom6_002281
TL;DR: MixCom6_002281 (CAS 5989-82-2) is a chemical compound with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
Also Known As: MixCom6_002281, BAS 04386903, BIM-0040028.P001, 2-({4-HYDROXY-5-[(4-METHOXYPHENYL)METHYL]-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL}SULFANYL)-N-(2-METHOXYPHENYL)ACETAMIDE, 2-{[4-hydroxy-5-(4-methoxybenzyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]thio}-N-(2-methoxyphenyl)acetamide
| Molecular Formula | C21H21N3O5S |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 2.8143 |
| Topological Polar Surface Area | 113.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.12018 |
| Heavy Atoms | 30 |
| Complexity | 1082.7451 |
Chemical Identifiers
| CAS Number | 5989-82-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3OC)O |
Product Overview
MixCom6_002281 (CAS 5989-82-2), with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol. IUPAC: 2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of MixCom6_002281
Property Insights of MixCom6_002281
The XLogP value of 2.8143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_002281. The TPSA of 113.54 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002281. Following Lipinski's Rule of Five, MixCom6_002281 has 3 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 MixCom6_002281?
The CAS number of MixCom6_002281 is 5989-82-2.
What is the molecular formula of MixCom6_002281?
The molecular formula of MixCom6_002281 is C21H21N3O5S.
What is the molecular weight of MixCom6_002281?
The molecular weight of MixCom6_002281 is 427.12 g/mol.
Where can I buy MixCom6_002281?
You can request a quote for MixCom6_002281 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002281?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002281 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.