BAS 01108302
TL;DR: BAS 01108302 (CAS 336181-05-6) is a chemical compound with molecular formula C29H24N2O5S2 and molecular weight 544.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-amino-6-(benzenesulfonyl)-2-benzylidene-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: BAS 01108302, ethyl (2Z)-5-amino-2-benzylidene-3-oxo-7-phenyl-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, (Z)-ethyl 5-amino-2-benzylidene-3-oxo-7-phenyl-6-(phenylsulfonyl)-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, ethyl (2Z)-5-amino-6-(benzenesulfonyl)-2-benzylidene-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, ETHYL (2Z)-5-AMINO-6-(BENZENESULFONYL)-3-OXO-7-PHENYL-2-(PHENYLMETHYLIDENE)-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-8-CARBOXYLATE
| Molecular Formula | C29H24N2O5S2 |
|---|---|
| Molecular Weight | 544.11 g/mol |
| LogP | 2.8085 |
| Topological Polar Surface Area | 108.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.1127 |
| Heavy Atoms | 38 |
| Complexity | 1823.5602 |
Chemical Identifiers
| CAS Number | 336181-05-6 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)N)C(=O)/C(=C/C5=CC=CC=C5)/S2 |
Product Overview
BAS 01108302 (CAS 336181-05-6), with molecular formula C29H24N2O5S2 and molecular weight 544.11 g/mol. IUPAC: ethyl (2Z)-5-amino-6-(benzenesulfonyl)-2-benzylidene-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of BAS 01108302
Property Insights of BAS 01108302
The XLogP value of 2.8085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108302. The TPSA of 108.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108302. Following Lipinski's Rule of Five, BAS 01108302 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01108302?
The CAS number of BAS 01108302 is 336181-05-6.
What is the molecular formula of BAS 01108302?
The molecular formula of BAS 01108302 is C29H24N2O5S2.
What is the molecular weight of BAS 01108302?
The molecular weight of BAS 01108302 is 544.11 g/mol.
Where can I buy BAS 01108302?
You can request a quote for BAS 01108302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108302?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.