![2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid structure](/static/products/357/357176-14-8.png)
2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid
TL;DR: 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid (CAS 357176-14-8) is a chemical compound with molecular formula C22H16ClN3O4S and molecular weight 453.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-[(E)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]furan-2-yl]benzoic acid
Also Known As: 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid, (E)-2-chloro-5-(5-(((4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)imino)methyl)furan-2-yl)benzoic acid, 2-CHLORO-5-[5-({[4-OXO-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]IMINO}METHYL)-2-FURYL]BENZOIC ACID, 2-chloro-5-[5-[(E)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]furan-2-yl]benzoic acid, 5-{5-[(1E)-2-(4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-3-yl ))-2-azavinyl](2-furyl)}-2-chlorobenzoic acid
| Molecular Formula | C22H16ClN3O4S |
|---|---|
| Molecular Weight | 453.06 g/mol |
| LogP | 4.8306 |
| Topological Polar Surface Area | 97.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.055 |
| Heavy Atoms | 31 |
| Complexity | 1416.1428 |
Chemical Identifiers
| CAS Number | 357176-14-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)/N=C/C4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)O |
Product Overview
2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid (CAS 357176-14-8), with molecular formula C22H16ClN3O4S and molecular weight 453.06 g/mol. IUPAC: 2-chloro-5-[5-[(E)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid
Property Insights of 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid
The XLogP value of 4.8306 indicates that 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid. Following Lipinski's Rule of Five, 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid 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 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid?
The CAS number of 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid is 357176-14-8.
What is the molecular formula of 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid?
The molecular formula of 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid is C22H16ClN3O4S.
What is the molecular weight of 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid?
The molecular weight of 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid is 453.06 g/mol.
Where can I buy 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid?
You can request a quote for 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.