BAS 05541240
TL;DR: BAS 05541240 (CAS 685122-07-0) is a chemical compound with molecular formula C19H23N3O3S and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: BAS 05541240, A3616/0153309, 1-(butan-2-yl)-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-butan-2-yl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 4-(4-(allyloxy)phenyl)-1-(sec-butyl)-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C19H23N3O3S |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 3.4869 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.14603 |
| Heavy Atoms | 26 |
| Complexity | 853.90454 |
Chemical Identifiers
| CAS Number | 685122-07-0 |
|---|---|
| SMILES | CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OCC=C)C(=O)N1 |
Product Overview
BAS 05541240 (CAS 685122-07-0), with molecular formula C19H23N3O3S and molecular weight 373.15 g/mol. IUPAC: 1-butan-2-yl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of BAS 05541240
Property Insights of BAS 05541240
The XLogP value of 3.4869 indicates that BAS 05541240 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05541240. Following Lipinski's Rule of Five, BAS 05541240 has 2 hydrogen bond donor(s) and 4 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 05541240?
The CAS number of BAS 05541240 is 685122-07-0.
What is the molecular formula of BAS 05541240?
The molecular formula of BAS 05541240 is C19H23N3O3S.
What is the molecular weight of BAS 05541240?
The molecular weight of BAS 05541240 is 373.15 g/mol.
Where can I buy BAS 05541240?
You can request a quote for BAS 05541240 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05541240?
Yes, KEHONG BIO provides custom synthesis services for BAS 05541240 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.