JVV3H8TRM7
TL;DR: JVV3H8TRM7 (CAS 55811-23-9) is a chemical compound with molecular formula C33H22Cl2N2O4 and molecular weight 580.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[[4-(3-carboxy-4-chlorophenyl)iminocyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]-2-chlorobenzoic acid
Also Known As: triphenyl (l4-boraneyl)phosphate, NCI-0117907a, 5-[[4-[[4-[(3-carboxy-4-chlorophenyl)amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]amino]-2-chlorobenzoic acid, 5-({(1e,4e)-4-[{4-[(3-carboxy-4-chlorophenyl)amino]phenyl}(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}amino)-2-chlorobenzoic acid, 5-[4-[[4-(3-carboxy-4-chlorophenyl)iminocyclohexa-2,5-dien-1
| Molecular Formula | C33H22Cl2N2O4 |
|---|---|
| Molecular Weight | 580.10 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 580.09564 |
| Heavy Atoms | 41 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 55811-23-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C2C=CC(=NC3=CC(=C(C=C3)Cl)C(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC(=C(C=C5)Cl)C(=O)O |
| InChIKey | JPOAXWSMFOLMQH-UHFFFAOYSA-N |
Product Overview
JVV3H8TRM7 (CAS 55811-23-9), with molecular formula C33H22Cl2N2O4 and molecular weight 580.10 g/mol. IUPAC: 5-[4-[[4-(3-carboxy-4-chlorophenyl)iminocyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]-2-chlorobenzoic acid.
Chemical Property Profile of JVV3H8TRM7
Property Insights of JVV3H8TRM7
The XLogP value of 8.3 indicates that JVV3H8TRM7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for JVV3H8TRM7. Following Lipinski's Rule of Five, JVV3H8TRM7 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of JVV3H8TRM7?
The CAS number of JVV3H8TRM7 is 55811-23-9.
What is the molecular formula of JVV3H8TRM7?
The molecular formula of JVV3H8TRM7 is C33H22Cl2N2O4.
What is the molecular weight of JVV3H8TRM7?
The molecular weight of JVV3H8TRM7 is 580.10 g/mol.
Where can I buy JVV3H8TRM7?
You can request a quote for JVV3H8TRM7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JVV3H8TRM7?
Yes, KEHONG BIO provides custom synthesis services for JVV3H8TRM7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.