BAS 00804982
TL;DR: BAS 00804982 (CAS 5732-96-7) is a chemical compound with molecular formula C22H17ClN2O5 and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-[(E)-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)iminomethyl]furan-2-yl]benzoic acid
Also Known As: BAS 00804982, 2-chloro-5-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoic acid, 2-CHLORO-5-(5-{(E)-[(1,3-DIOXO-1,3,3A,4,7,7A-HEXAHYDRO-2H-4,7-ETHANOISOINDOL-2-YL)IMINO]METHYL}-2-FURYL)BENZOIC ACID, 2-chloro-5-(5-{[(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)imino]methyl}-2-furyl)benzoic acid
| Molecular Formula | C22H17ClN2O5 |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 3.8293 |
| Topological Polar Surface Area | 100.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.0826 |
| Heavy Atoms | 30 |
| Complexity | 1102.2977 |
Chemical Identifiers
| CAS Number | 5732-96-7 |
|---|---|
| SMILES | C1CC2C=CC1C3C2C(=O)N(C3=O)/N=C/C4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)O |
Product Overview
BAS 00804982 (CAS 5732-96-7), with molecular formula C22H17ClN2O5 and molecular weight 424.08 g/mol. IUPAC: 2-chloro-5-[5-[(E)-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)iminomethyl]furan-2-yl]benzoic acid.
Chemical Property Profile of BAS 00804982
Property Insights of BAS 00804982
The XLogP value of 3.8293 indicates that BAS 00804982 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00804982. Following Lipinski's Rule of Five, BAS 00804982 has 1 hydrogen bond donor(s) and 5 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 00804982?
The CAS number of BAS 00804982 is 5732-96-7.
What is the molecular formula of BAS 00804982?
The molecular formula of BAS 00804982 is C22H17ClN2O5.
What is the molecular weight of BAS 00804982?
The molecular weight of BAS 00804982 is 424.08 g/mol.
Where can I buy BAS 00804982?
You can request a quote for BAS 00804982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00804982?
Yes, KEHONG BIO provides custom synthesis services for BAS 00804982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.