CCRIS 4162
TL;DR: CCRIS 4162 (CAS 128753-99-1) is a chemical compound with molecular formula C17H14ClNO5 and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7b-methyldioxeto[3,4-b][1]benzofuran-2a-yl)methyl N-(4-chlorophenyl)carbamate
Also Known As: VA 045, 2a-(4-Chlorophenylcarbamoyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran, (7b-methyl[1,2]dioxeto[3,4-b][1]benzofuran-2a(7bH)-yl)methyl (4-chlorophenyl)carbamate, (7b-methyldioxeto[3,4-b][1]benzofuran-2a-yl)methyl N-(4-chlorophenyl)carbamate, 2A-(4-CHLOROPHENYLCARBAMOYLOXYMETHYL)-2A,7B-DIHYDRO-7B-METHYL-1,2-DIOXETO[3,4-B] BENZOFURAN
| Molecular Formula | C17H14ClNO5 |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.05606 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 128753-99-1 |
|---|---|
| SMILES | CC12C3=CC=CC=C3OC1(OO2)COC(=O)NC4=CC=C(C=C4)Cl |
| InChIKey | RKLMNKXDMKAEIC-UHFFFAOYSA-N |
Product Overview
CCRIS 4162 (CAS 128753-99-1), with molecular formula C17H14ClNO5 and molecular weight 347.06 g/mol. IUPAC: (7b-methyldioxeto[3,4-b][1]benzofuran-2a-yl)methyl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of CCRIS 4162
Property Insights of CCRIS 4162
The XLogP value of 3.2 indicates that CCRIS 4162 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CCRIS 4162. Following Lipinski's Rule of Five, CCRIS 4162 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 CCRIS 4162?
The CAS number of CCRIS 4162 is 128753-99-1.
What is the molecular formula of CCRIS 4162?
The molecular formula of CCRIS 4162 is C17H14ClNO5.
What is the molecular weight of CCRIS 4162?
The molecular weight of CCRIS 4162 is 347.06 g/mol.
Where can I buy CCRIS 4162?
You can request a quote for CCRIS 4162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCRIS 4162?
Yes, KEHONG BIO provides custom synthesis services for CCRIS 4162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.