BAS 05099518
TL;DR: BAS 05099518 (CAS 516461-36-2) is a chemical compound with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetate
Also Known As: BAS 05099518, [2-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-acetylamino]-acetic acid ethyl ester, ethyl 2-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)acetate, ethyl 2-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetate, ethyl 2-[2-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)acetamido]acetate
| Molecular Formula | C17H17N5O3S |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.10522 |
| Heavy Atoms | 26 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 516461-36-2 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3 |
| InChIKey | UNQKDWAXBQZOKQ-UHFFFAOYSA-N |
Product Overview
BAS 05099518 (CAS 516461-36-2), with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol. IUPAC: ethyl 2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetate.
Chemical Property Profile of BAS 05099518
Property Insights of BAS 05099518
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05099518. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05099518. Following Lipinski's Rule of Five, BAS 05099518 has 1 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 BAS 05099518?
The CAS number of BAS 05099518 is 516461-36-2.
What is the molecular formula of BAS 05099518?
The molecular formula of BAS 05099518 is C17H17N5O3S.
What is the molecular weight of BAS 05099518?
The molecular weight of BAS 05099518 is 371.11 g/mol.
Where can I buy BAS 05099518?
You can request a quote for BAS 05099518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05099518?
Yes, KEHONG BIO provides custom synthesis services for BAS 05099518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.