RefChem:817220
TL;DR: RefChem:817220 (CAS 617694-69-6) is a chemical compound with molecular formula C16H15IN2O3S and molecular weight 441.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Also Known As: methyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate, 644-224-2, Methyl 10-(4-iodophenyl)-8-methyl-2-oxo-5-thia-1,7-diazabicyclo[4.4.0]deca-6,8-diene-9-carboxylate, METHYL 6-(4-IODOPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO(2,1-B)(1,3)THIAZINE-7-CARBOXYLATE, methyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
| Molecular Formula | C16H15IN2O3S |
|---|---|
| Molecular Weight | 441.98 g/mol |
| LogP | 3.1144 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 441.9848 |
| Heavy Atoms | 23 |
| Complexity | 727.3458 |
Chemical Identifiers
| CAS Number | 617694-69-6 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)I)C(=O)OC |
Product Overview
RefChem:817220 (CAS 617694-69-6), with molecular formula C16H15IN2O3S and molecular weight 441.98 g/mol. IUPAC: methyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
Chemical Property Profile of RefChem:817220
Property Insights of RefChem:817220
The XLogP value of 3.1144 indicates that RefChem:817220 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.97 Ų, RefChem:817220 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:817220 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 RefChem:817220?
The CAS number of RefChem:817220 is 617694-69-6.
What is the molecular formula of RefChem:817220?
The molecular formula of RefChem:817220 is C16H15IN2O3S.
What is the molecular weight of RefChem:817220?
The molecular weight of RefChem:817220 is 441.98 g/mol.
Where can I buy RefChem:817220?
You can request a quote for RefChem:817220 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:817220?
Yes, KEHONG BIO provides custom synthesis services for RefChem:817220 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.