MixCom6_000752
TL;DR: MixCom6_000752 (CAS 5546-13-4) is a chemical compound with molecular formula C25H20N2O5S and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(2-phenylethenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: MixCom6_000752, DivK1c_005184, CDS1_004144, methyl (8Z)-8-(benzo[1,3]dioxol-5-ylmethylidene)-4-methyl-9-oxo-2-[(E)-2-phenylethenyl]-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate, methyl 2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(2-phenylethenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H20N2O5S |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 2.802 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.10928 |
| Heavy Atoms | 33 |
| Complexity | 1481.1704 |
Chemical Identifiers
| CAS Number | 5546-13-4 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=N1)C=CC5=CC=CC=C5)C(=O)OC |
Product Overview
MixCom6_000752 (CAS 5546-13-4), with molecular formula C25H20N2O5S and molecular weight 460.11 g/mol. IUPAC: methyl 2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(2-phenylethenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of MixCom6_000752
Property Insights of MixCom6_000752
The XLogP value of 2.802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_000752. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_000752. Following Lipinski's Rule of Five, MixCom6_000752 has 0 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_000752?
The CAS number of MixCom6_000752 is 5546-13-4.
What is the molecular formula of MixCom6_000752?
The molecular formula of MixCom6_000752 is C25H20N2O5S.
What is the molecular weight of MixCom6_000752?
The molecular weight of MixCom6_000752 is 460.11 g/mol.
Where can I buy MixCom6_000752?
You can request a quote for MixCom6_000752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_000752?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_000752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.