BAS 06104564
TL;DR: BAS 06104564 (CAS 309936-90-1) is a chemical compound with molecular formula C18H15NO3S and molecular weight 325.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(E)-2-(4-methoxyphenyl)ethenyl]-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: BAS 06104564, AE-848/12505081, 3-[(E)-2-(4-methoxyphenyl)ethenyl]-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d][1,3]oxazin-1-one, 10-[(E)-2-(4-Methoxyphenyl)ethenyl]-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 2-[(E)-2-(4-Methoxy-phenyl)-vinyl]-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d][1,3]oxazin-4-one
| Molecular Formula | C18H15NO3S |
|---|---|
| Molecular Weight | 325.08 g/mol |
| LogP | 3.9172 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.07727 |
| Heavy Atoms | 23 |
| Complexity | 950.7974 |
Chemical Identifiers
| CAS Number | 309936-90-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C2=NC3=C(C4=C(S3)CCC4)C(=O)O2 |
Product Overview
BAS 06104564 (CAS 309936-90-1), with molecular formula C18H15NO3S and molecular weight 325.08 g/mol. IUPAC: 10-[(E)-2-(4-methoxyphenyl)ethenyl]-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of BAS 06104564
Property Insights of BAS 06104564
The XLogP value of 3.9172 indicates that BAS 06104564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, BAS 06104564 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06104564 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 06104564?
The CAS number of BAS 06104564 is 309936-90-1.
What is the molecular formula of BAS 06104564?
The molecular formula of BAS 06104564 is C18H15NO3S.
What is the molecular weight of BAS 06104564?
The molecular weight of BAS 06104564 is 325.08 g/mol.
Where can I buy BAS 06104564?
You can request a quote for BAS 06104564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06104564?
Yes, KEHONG BIO provides custom synthesis services for BAS 06104564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.