BAS 00338122
TL;DR: BAS 00338122 (CAS 312626-03-2) is a chemical compound with molecular formula C23H17BrN2O2S2 and molecular weight 495.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: BAS 00338122, AE-848/36080019, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 10-[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-2-phenyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one
| Molecular Formula | C23H17BrN2O2S2 |
|---|---|
| Molecular Weight | 495.99 g/mol |
| LogP | 5.6734 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.9915 |
| Heavy Atoms | 30 |
| Complexity | 1311.2883 |
Chemical Identifiers
| CAS Number | 312626-03-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5 |
Product Overview
BAS 00338122 (CAS 312626-03-2), with molecular formula C23H17BrN2O2S2 and molecular weight 495.99 g/mol. IUPAC: 10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of BAS 00338122
Property Insights of BAS 00338122
The XLogP value of 5.6734 indicates that BAS 00338122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, BAS 00338122 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00338122 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00338122?
The CAS number of BAS 00338122 is 312626-03-2.
What is the molecular formula of BAS 00338122?
The molecular formula of BAS 00338122 is C23H17BrN2O2S2.
What is the molecular weight of BAS 00338122?
The molecular weight of BAS 00338122 is 495.99 g/mol.
Where can I buy BAS 00338122?
You can request a quote for BAS 00338122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00338122?
Yes, KEHONG BIO provides custom synthesis services for BAS 00338122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.