MixCom6_001096
TL;DR: MixCom6_001096 (CAS 328548-14-7) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: MixCom6_001096, BAS 00458599, BIM-0024299.P001, AB00088968-01, 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.14072 |
| Topological Polar Surface Area | 82.62 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 922.5692 |
Chemical Identifiers
| CAS Number | 328548-14-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)O)OC)C |
Product Overview
MixCom6_001096 (CAS 328548-14-7), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of MixCom6_001096
Property Insights of MixCom6_001096
The XLogP value of 3.14072 indicates that MixCom6_001096 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_001096. Following Lipinski's Rule of Five, MixCom6_001096 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_001096?
The CAS number of MixCom6_001096 is 328548-14-7.
What is the molecular formula of MixCom6_001096?
The molecular formula of MixCom6_001096 is C20H21N3O3S.
What is the molecular weight of MixCom6_001096?
The molecular weight of MixCom6_001096 is 383.13 g/mol.
Where can I buy MixCom6_001096?
You can request a quote for MixCom6_001096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001096?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.