BAS 03304116
TL;DR: BAS 03304116 (CAS 378778-08-6) is a chemical compound with molecular formula C17H14BrN3O5S and molecular weight 450.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3Z)-5-bromo-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetic acid
Also Known As: BAS 03304116, AB00114064-01, 2-[(3Z)-5-bromo-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetic acid, 2-{5-bromo-3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid, (Z)-2-(5-bromo-3-(2-morpholino-4-oxothiazol-5(4H)-ylidene)-2-oxoindolin-1-yl)acetic acid
| Molecular Formula | C17H14BrN3O5S |
|---|---|
| Molecular Weight | 450.98 g/mol |
| LogP | 1.553 |
| Topological Polar Surface Area | 99.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.98376 |
| Heavy Atoms | 27 |
| Complexity | 923.144 |
Chemical Identifiers
| CAS Number | 378778-08-6 |
|---|---|
| SMILES | C1COCCN1C2=NC(=O)/C(=C/3\C4=C(C=CC(=C4)Br)N(C3=O)CC(=O)O)/S2 |
Product Overview
BAS 03304116 (CAS 378778-08-6), with molecular formula C17H14BrN3O5S and molecular weight 450.98 g/mol. IUPAC: 2-[(3Z)-5-bromo-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetic acid.
Chemical Property Profile of BAS 03304116
Property Insights of BAS 03304116
The XLogP value of 1.553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03304116. The TPSA of 99.51 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03304116. Following Lipinski's Rule of Five, BAS 03304116 has 1 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 03304116?
The CAS number of BAS 03304116 is 378778-08-6.
What is the molecular formula of BAS 03304116?
The molecular formula of BAS 03304116 is C17H14BrN3O5S.
What is the molecular weight of BAS 03304116?
The molecular weight of BAS 03304116 is 450.98 g/mol.
Where can I buy BAS 03304116?
You can request a quote for BAS 03304116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03304116?
Yes, KEHONG BIO provides custom synthesis services for BAS 03304116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.