BAS 05100490
TL;DR: BAS 05100490 (CAS 577756-72-0) is a chemical compound with molecular formula C17H16ClN5O3S and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]acetate
Also Known As: BAS 05100490, ethyl 2-(2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)acetate, ethyl 2-(2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamido)acetate, ethyl 2-[[2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]acetate, ethyl N-({[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetyl)glycinate
| Molecular Formula | C17H16ClN5O3S |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.06622 |
| Heavy Atoms | 27 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 577756-72-0 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl |
| InChIKey | QTHBOVPTJUVISZ-UHFFFAOYSA-N |
Product Overview
BAS 05100490 (CAS 577756-72-0), with molecular formula C17H16ClN5O3S and molecular weight 405.07 g/mol. IUPAC: ethyl 2-[[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]acetate.
Chemical Property Profile of BAS 05100490
Property Insights of BAS 05100490
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05100490. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05100490. Following Lipinski's Rule of Five, BAS 05100490 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 05100490?
The CAS number of BAS 05100490 is 577756-72-0.
What is the molecular formula of BAS 05100490?
The molecular formula of BAS 05100490 is C17H16ClN5O3S.
What is the molecular weight of BAS 05100490?
The molecular weight of BAS 05100490 is 405.07 g/mol.
Where can I buy BAS 05100490?
You can request a quote for BAS 05100490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05100490?
Yes, KEHONG BIO provides custom synthesis services for BAS 05100490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.