MixCom6_001980
TL;DR: MixCom6_001980 (CAS 5769-93-7) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: MixCom6_001980, BAS 00944061, BIM-0032312.P001, AB00096337-01, F1011-1814
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.53082 |
| Topological Polar Surface Area | 82.62 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 938.41205 |
Chemical Identifiers
| CAS Number | 5769-93-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)C)O |
Product Overview
MixCom6_001980 (CAS 5769-93-7), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of MixCom6_001980
Property Insights of MixCom6_001980
The XLogP value of 3.53082 indicates that MixCom6_001980 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.62 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001980. Following Lipinski's Rule of Five, MixCom6_001980 has 4 hydrogen bond donor(s) and 4 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_001980?
The CAS number of MixCom6_001980 is 5769-93-7.
What is the molecular formula of MixCom6_001980?
The molecular formula of MixCom6_001980 is C21H23N3O3S.
What is the molecular weight of MixCom6_001980?
The molecular weight of MixCom6_001980 is 397.15 g/mol.
Where can I buy MixCom6_001980?
You can request a quote for MixCom6_001980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001980?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.