ChemDiv1_013369
TL;DR: ChemDiv1_013369 (CAS 443356-11-4) is a chemical compound with molecular formula C23H20FN5O3S and molecular weight 465.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate
Also Known As: ChemDiv1_013369, F0916-4728, methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate, methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate, methyl 3-((4,6-dimethylpyrimidin-2-yl)amino)-2-((3-fluorobenzyl)thio)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
| Molecular Formula | C23H20FN5O3S |
|---|---|
| Molecular Weight | 465.13 g/mol |
| LogP | 3.89654 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.12708 |
| Heavy Atoms | 33 |
| Complexity | 1403.129 |
Chemical Identifiers
| CAS Number | 443356-11-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NN2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2SCC4=CC(=CC=C4)F)C |
Product Overview
ChemDiv1_013369 (CAS 443356-11-4), with molecular formula C23H20FN5O3S and molecular weight 465.13 g/mol. IUPAC: methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate.
Chemical Property Profile of ChemDiv1_013369
Property Insights of ChemDiv1_013369
The XLogP value of 3.89654 indicates that ChemDiv1_013369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013369. Following Lipinski's Rule of Five, ChemDiv1_013369 has 1 hydrogen bond donor(s) and 8 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 ChemDiv1_013369?
The CAS number of ChemDiv1_013369 is 443356-11-4.
What is the molecular formula of ChemDiv1_013369?
The molecular formula of ChemDiv1_013369 is C23H20FN5O3S.
What is the molecular weight of ChemDiv1_013369?
The molecular weight of ChemDiv1_013369 is 465.13 g/mol.
Where can I buy ChemDiv1_013369?
You can request a quote for ChemDiv1_013369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013369?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.