BAS 00700455
TL;DR: BAS 00700455 (CAS 331964-56-8) is a chemical compound with molecular formula C21H20N4OS2 and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-3-prop-2-enylsulfanyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: BAS 00700455, 1-(allylthio)-4-benzyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 4-benzyl-1-(prop-2-en-1-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C21H20N4OS2 |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 4.3109 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.10785 |
| Heavy Atoms | 28 |
| Complexity | 1236.4884 |
Chemical Identifiers
| CAS Number | 331964-56-8 |
|---|---|
| SMILES | C=CCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CC=C5 |
Product Overview
BAS 00700455 (CAS 331964-56-8), with molecular formula C21H20N4OS2 and molecular weight 408.11 g/mol. IUPAC: 7-benzyl-3-prop-2-enylsulfanyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of BAS 00700455
Property Insights of BAS 00700455
The XLogP value of 4.3109 indicates that BAS 00700455 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, BAS 00700455 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00700455 has 0 hydrogen bond donor(s) and 5 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 00700455?
The CAS number of BAS 00700455 is 331964-56-8.
What is the molecular formula of BAS 00700455?
The molecular formula of BAS 00700455 is C21H20N4OS2.
What is the molecular weight of BAS 00700455?
The molecular weight of BAS 00700455 is 408.11 g/mol.
Where can I buy BAS 00700455?
You can request a quote for BAS 00700455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00700455?
Yes, KEHONG BIO provides custom synthesis services for BAS 00700455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.