BAS 00777687
TL;DR: BAS 00777687 (CAS 1164526-88-8) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-methyl-4-oxo-6-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Also Known As: BAS 00777687, AH-034/11650293, (E)-methyl 8-methyl-4-oxo-6-styryl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate, methyl 8-methyl-4-oxo-6-[(E)-2-phenylethenyl]-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, methyl 8-methyl-4-oxo-6-[(E)-2-phenylethenyl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 2.8505 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 752.7872 |
Chemical Identifiers
| CAS Number | 1164526-88-8 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)CCSC2=N1)/C=C/C3=CC=CC=C3)C(=O)OC |
Product Overview
BAS 00777687 (CAS 1164526-88-8), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: methyl 8-methyl-4-oxo-6-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
Chemical Property Profile of BAS 00777687
Property Insights of BAS 00777687
The XLogP value of 2.8505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00777687. With a topological polar surface area (TPSA) of 58.97 Ų, BAS 00777687 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00777687 has 0 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 BAS 00777687?
The CAS number of BAS 00777687 is 1164526-88-8.
What is the molecular formula of BAS 00777687?
The molecular formula of BAS 00777687 is C18H18N2O3S.
What is the molecular weight of BAS 00777687?
The molecular weight of BAS 00777687 is 342.10 g/mol.
Where can I buy BAS 00777687?
You can request a quote for BAS 00777687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00777687?
Yes, KEHONG BIO provides custom synthesis services for BAS 00777687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.