BAS 01218448
TL;DR: BAS 01218448 (CAS 314746-40-2) is a chemical compound with molecular formula C13H9N3O4S2 and molecular weight 335.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3E)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]indol-1-yl]acetic acid
Also Known As: BAS 01218448, BIM-0038059.P001, 2-[(3Z)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]-2,3-dihydro-1H-indol-1-yl]acetic acid, {2-oxo-3-[(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)imino]-2,3-dihydro-1H-indol-1-yl}acetic acid, 2-[(3E)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]indol-1-yl]acetic acid
| Molecular Formula | C13H9N3O4S2 |
|---|---|
| Molecular Weight | 335.00 g/mol |
| LogP | 0.6822 |
| Topological Polar Surface Area | 90.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.00345 |
| Heavy Atoms | 22 |
| Complexity | 730.55566 |
Chemical Identifiers
| CAS Number | 314746-40-2 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)/N=C/2\C3=CC=CC=C3N(C2=O)CC(=O)O |
Product Overview
BAS 01218448 (CAS 314746-40-2), with molecular formula C13H9N3O4S2 and molecular weight 335.00 g/mol. IUPAC: 2-[(3E)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]indol-1-yl]acetic acid.
Chemical Property Profile of BAS 01218448
Property Insights of BAS 01218448
The XLogP value of 0.6822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01218448. The TPSA of 90.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01218448. Following Lipinski's Rule of Five, BAS 01218448 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 01218448?
The CAS number of BAS 01218448 is 314746-40-2.
What is the molecular formula of BAS 01218448?
The molecular formula of BAS 01218448 is C13H9N3O4S2.
What is the molecular weight of BAS 01218448?
The molecular weight of BAS 01218448 is 335.00 g/mol.
Where can I buy BAS 01218448?
You can request a quote for BAS 01218448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01218448?
Yes, KEHONG BIO provides custom synthesis services for BAS 01218448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.