F1057-0379
TL;DR: F1057-0379 (CAS 321681-64-5) is a chemical compound with molecular formula C17H15N3O5S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(1,3-benzodioxol-5-yl)-7-methyl-4-oxo-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
Also Known As: F1057-0379, methyl 5-(1,3-benzodioxol-5-yl)-7-methyl-4-oxo-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate, methyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate, methyl 5-(1,3-benzodioxol-5-yl)-7-methyl-4-oxo-2-thioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate, methyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-2-thioxo-1,3,8-triaza-1,2,3,4,5,8-hexahydro-6-naphthoate
| Molecular Formula | C17H15N3O5S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 2.16559 |
| Topological Polar Surface Area | 105.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.07324 |
| Heavy Atoms | 26 |
| Complexity | 1068.7985 |
Chemical Identifiers
| CAS Number | 321681-64-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)NC(=S)NC2=O)C3=CC4=C(C=C3)OCO4)C(=O)OC |
Product Overview
F1057-0379 (CAS 321681-64-5), with molecular formula C17H15N3O5S and molecular weight 373.07 g/mol. IUPAC: methyl 5-(1,3-benzodioxol-5-yl)-7-methyl-4-oxo-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of F1057-0379
Property Insights of F1057-0379
The XLogP value of 2.16559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1057-0379. The TPSA of 105.44 Ų falls within the moderate polarity range, balancing permeability and solubility for F1057-0379. Following Lipinski's Rule of Five, F1057-0379 has 3 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 F1057-0379?
The CAS number of F1057-0379 is 321681-64-5.
What is the molecular formula of F1057-0379?
The molecular formula of F1057-0379 is C17H15N3O5S.
What is the molecular weight of F1057-0379?
The molecular weight of F1057-0379 is 373.07 g/mol.
Where can I buy F1057-0379?
You can request a quote for F1057-0379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1057-0379?
Yes, KEHONG BIO provides custom synthesis services for F1057-0379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.