BAS 02712590
TL;DR: BAS 02712590 (CAS 340319-44-0) is a chemical compound with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(5-carbamoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxyphenoxy]acetate
Also Known As: BAS 02712590, AB00105707-01, AO-081/15569025, ethyl [4-(5-carbamoyl-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl)-2-methoxyphenoxy]acetate, Ethyl 2-[4-[5-(aminocarbonyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-4-pyrimidinyl]-2-methoxyphenoxy]acetate
| Molecular Formula | C17H21N3O5S |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 0.9152 |
| Topological Polar Surface Area | 111.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.12018 |
| Heavy Atoms | 26 |
| Complexity | 762.76526 |
Chemical Identifiers
| CAS Number | 340319-44-0 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)N)OC |
Product Overview
BAS 02712590 (CAS 340319-44-0), with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol. IUPAC: ethyl 2-[4-(5-carbamoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxyphenoxy]acetate.
Chemical Property Profile of BAS 02712590
Property Insights of BAS 02712590
The XLogP value of 0.9152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02712590. The TPSA of 111.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02712590. Following Lipinski's Rule of Five, BAS 02712590 has 3 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 BAS 02712590?
The CAS number of BAS 02712590 is 340319-44-0.
What is the molecular formula of BAS 02712590?
The molecular formula of BAS 02712590 is C17H21N3O5S.
What is the molecular weight of BAS 02712590?
The molecular weight of BAS 02712590 is 379.12 g/mol.
Where can I buy BAS 02712590?
You can request a quote for BAS 02712590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02712590?
Yes, KEHONG BIO provides custom synthesis services for BAS 02712590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.