C21H11NO4.ClH
TL;DR: C21H11NO4.ClH (CAS 58556-60-8) is a chemical compound with molecular formula C21H12ClNO4 and molecular weight 377.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ylidene)indole-7-carboxylic acid;hydrochloride
Also Known As: 3-3h-indole-7-carboxylicacidhydrochloride, 3-(3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-ylidene)-3H-indole-7-carboxylic acid hydrochloride, 3H-Indole-7-carboxylic acid, 3-(3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-ylidene)-, hydrochloride, 3H-Indole-7-carboxylic acid, 3-(3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-ylidene)-, hydrochloride (1:1), 3H-Indole-7-carboxylic acid, 3-(3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-ylidene-, hydrochloride
| Molecular Formula | C21H12ClNO4 |
|---|---|
| Molecular Weight | 377.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 377.04547 |
| Heavy Atoms | 27 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 58556-60-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=C4C=NC5=C4C=CC=C5C(=O)O)OC(=O)C3=CC=C2.Cl |
| InChIKey | FBJOIIPFBQNGHC-UHFFFAOYSA-N |
Product Overview
C21H11NO4.ClH (CAS 58556-60-8), with molecular formula C21H12ClNO4 and molecular weight 377.05 g/mol. IUPAC: 3-(4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ylidene)indole-7-carboxylic acid;hydrochloride.
Chemical Property Profile of C21H11NO4.ClH
Property Insights of C21H11NO4.ClH
The XLogP value of 3.7 indicates that C21H11NO4.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H11NO4.ClH. Following Lipinski's Rule of Five, C21H11NO4.ClH has 2 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 C21H11NO4.ClH?
The CAS number of C21H11NO4.ClH is 58556-60-8.
What is the molecular formula of C21H11NO4.ClH?
The molecular formula of C21H11NO4.ClH is C21H12ClNO4.
What is the molecular weight of C21H11NO4.ClH?
The molecular weight of C21H11NO4.ClH is 377.05 g/mol.
Where can I buy C21H11NO4.ClH?
You can request a quote for C21H11NO4.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H11NO4.ClH?
Yes, KEHONG BIO provides custom synthesis services for C21H11NO4.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.