BAS 01176781
TL;DR: BAS 01176781 (CAS 332145-26-3) is a chemical compound with molecular formula C20H26N2O3S2 and molecular weight 406.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[[11-(2-methylprop-2-enyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate
Also Known As: BAS 01176781, AJ-292/13047038, Pentyl 2-[[3,5,6,7-tetrahydro-3-(2-methyl-2-propen-1-yl)-4-oxo-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]acetate, pentyl {[3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, pentyl {[3-(2-methyl-2-propenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
| Molecular Formula | C20H26N2O3S2 |
|---|---|
| Molecular Weight | 406.14 g/mol |
| LogP | 4.3483 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.1385 |
| Heavy Atoms | 27 |
| Complexity | 914.06805 |
Chemical Identifiers
| CAS Number | 332145-26-3 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CC(=C)C |
Product Overview
BAS 01176781 (CAS 332145-26-3), with molecular formula C20H26N2O3S2 and molecular weight 406.14 g/mol. IUPAC: pentyl 2-[[11-(2-methylprop-2-enyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 01176781
Property Insights of BAS 01176781
The XLogP value of 4.3483 indicates that BAS 01176781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01176781. Following Lipinski's Rule of Five, BAS 01176781 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 01176781?
The CAS number of BAS 01176781 is 332145-26-3.
What is the molecular formula of BAS 01176781?
The molecular formula of BAS 01176781 is C20H26N2O3S2.
What is the molecular weight of BAS 01176781?
The molecular weight of BAS 01176781 is 406.14 g/mol.
Where can I buy BAS 01176781?
You can request a quote for BAS 01176781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01176781?
Yes, KEHONG BIO provides custom synthesis services for BAS 01176781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.