BAS 05228601
TL;DR: BAS 05228601 (CAS 494826-00-5) is a chemical compound with molecular formula C22H29N3O3S2 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 05228601, AF-399/41320394, 2-(4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-[1-(2-hydroxyethyl)-2-oxo-2-piperidylethylthio]-3-prop-2-enyl-3,5,6,7,8-pent ahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one, 2-{[4-hydroxy-1-oxo-1-(piperidin-1-yl)butan-2-yl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H29N3O3S2 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 3.3784 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.16504 |
| Heavy Atoms | 30 |
| Complexity | 991.6547 |
Chemical Identifiers
| CAS Number | 494826-00-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SC(CCO)C(=O)N3CCCCC3)SC4=C2CCCC4 |
Product Overview
BAS 05228601 (CAS 494826-00-5), with molecular formula C22H29N3O3S2 and molecular weight 447.17 g/mol. IUPAC: 2-(4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 05228601
Property Insights of BAS 05228601
The XLogP value of 3.3784 indicates that BAS 05228601 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05228601. Following Lipinski's Rule of Five, BAS 05228601 has 1 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 05228601?
The CAS number of BAS 05228601 is 494826-00-5.
What is the molecular formula of BAS 05228601?
The molecular formula of BAS 05228601 is C22H29N3O3S2.
What is the molecular weight of BAS 05228601?
The molecular weight of BAS 05228601 is 447.17 g/mol.
Where can I buy BAS 05228601?
You can request a quote for BAS 05228601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05228601?
Yes, KEHONG BIO provides custom synthesis services for BAS 05228601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.