BAS 05100502
TL;DR: BAS 05100502 (CAS 577756-78-6) is a chemical compound with molecular formula C17H16ClN5O2S and molecular weight 389.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone
Also Known As: BAS 05100502, F1874-0621, 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-morpholinoethanone, 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone, 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
| Molecular Formula | C17H16ClN5O2S |
|---|---|
| Molecular Weight | 389.07 g/mol |
| LogP | 2.4198 |
| Topological Polar Surface Area | 73.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.07132 |
| Heavy Atoms | 26 |
| Complexity | 924.55286 |
Chemical Identifiers
| CAS Number | 577756-78-6 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
BAS 05100502 (CAS 577756-78-6), with molecular formula C17H16ClN5O2S and molecular weight 389.07 g/mol. IUPAC: 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone.
Chemical Property Profile of BAS 05100502
Property Insights of BAS 05100502
The XLogP value of 2.4198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05100502. The TPSA of 73.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05100502. Following Lipinski's Rule of Five, BAS 05100502 has 0 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 05100502?
The CAS number of BAS 05100502 is 577756-78-6.
What is the molecular formula of BAS 05100502?
The molecular formula of BAS 05100502 is C17H16ClN5O2S.
What is the molecular weight of BAS 05100502?
The molecular weight of BAS 05100502 is 389.07 g/mol.
Where can I buy BAS 05100502?
You can request a quote for BAS 05100502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05100502?
Yes, KEHONG BIO provides custom synthesis services for BAS 05100502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.