5-Bromo-4-chloro-3-indolyl phosphate
TL;DR: 5-Bromo-4-chloro-3-indolyl phosphate (CAS 38404-93-2) is a chemical compound with molecular formula C8H6BrClNO4P and molecular weight 324.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-4-chloro-1H-indol-3-yl) dihydrogen phosphate
Also Known As: 5-Bcip, BCIP, X-Phos, Indole der., Fragment compound,6
| Molecular Formula | C8H6BrClNO4P |
|---|---|
| Molecular Weight | 324.89 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.89062 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 38404-93-2 |
|---|---|
| SMILES | C1=CC(=C(C2=C1NC=C2OP(=O)(O)O)Cl)Br |
| InChIKey | QRXMUCSWCMTJGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-4-chloro-3-indolyl phosphate (CAS 38404-93-2), with molecular formula C8H6BrClNO4P and molecular weight 324.89 g/mol. IUPAC: (5-bromo-4-chloro-1H-indol-3-yl) dihydrogen phosphate.
Chemical Property Profile of 5-Bromo-4-chloro-3-indolyl phosphate
Property Insights of 5-Bromo-4-chloro-3-indolyl phosphate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4-chloro-3-indolyl phosphate. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-4-chloro-3-indolyl phosphate. Following Lipinski's Rule of Five, 5-Bromo-4-chloro-3-indolyl phosphate has 3 hydrogen bond donor(s) and 4 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 5-Bromo-4-chloro-3-indolyl phosphate?
The CAS number of 5-Bromo-4-chloro-3-indolyl phosphate is 38404-93-2.
What is the molecular formula of 5-Bromo-4-chloro-3-indolyl phosphate?
The molecular formula of 5-Bromo-4-chloro-3-indolyl phosphate is C8H6BrClNO4P.
What is the molecular weight of 5-Bromo-4-chloro-3-indolyl phosphate?
The molecular weight of 5-Bromo-4-chloro-3-indolyl phosphate is 324.89 g/mol.
Where can I buy 5-Bromo-4-chloro-3-indolyl phosphate?
You can request a quote for 5-Bromo-4-chloro-3-indolyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-chloro-3-indolyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-chloro-3-indolyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.