![METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE structure](/static/products/452/452059-53-9.png)
METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE
TL;DR: METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE (CAS 452059-53-9) is a chemical compound with molecular formula C18H16FN3O4S and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-[(3-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate
Also Known As: METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE, methyl 2-(3-(3-fluorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)acetate, methyl 2-[[3-[(3-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate, methyl N-{[3-(3-fluorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl]carbonyl}glycinate
| Molecular Formula | C18H16FN3O4S |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 1.85662 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.08456 |
| Heavy Atoms | 27 |
| Complexity | 1089.8905 |
Chemical Identifiers
| CAS Number | 452059-53-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)NCC(=O)OC |
Product Overview
METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE (CAS 452059-53-9), with molecular formula C18H16FN3O4S and molecular weight 389.08 g/mol. IUPAC: methyl 2-[[3-[(3-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate.
Chemical Property Profile of METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE
Property Insights of METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE
The XLogP value of 1.85662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE. Following Lipinski's Rule of Five, METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE has 1 hydrogen bond donor(s) and 6 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 METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE?
The CAS number of METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE is 452059-53-9.
What is the molecular formula of METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE?
The molecular formula of METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE is C18H16FN3O4S.
What is the molecular weight of METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE?
The molecular weight of METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE is 389.08 g/mol.
Where can I buy METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE?
You can request a quote for METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 2-({3-[(3-FLUOROPHENYL)METHYL]-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL}FORMAMIDO)ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.