ChemDiv3_003808
TL;DR: ChemDiv3_003808 (CAS 314743-87-8) is a chemical compound with molecular formula C17H17ClO5 and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
Also Known As: ChemDiv3_003808, EiM07-13839, IDI1_021718, BRD-K97043734-001-01-0, isopropyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetate
| Molecular Formula | C17H17ClO5 |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 3.2655 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.07645 |
| Heavy Atoms | 23 |
| Complexity | 821.82404 |
Chemical Identifiers
| CAS Number | 314743-87-8 |
|---|---|
| SMILES | CC(C)OC(=O)COC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl |
Product Overview
ChemDiv3_003808 (CAS 314743-87-8), with molecular formula C17H17ClO5 and molecular weight 336.08 g/mol. IUPAC: propan-2-yl 2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate.
Chemical Property Profile of ChemDiv3_003808
Property Insights of ChemDiv3_003808
The XLogP value of 3.2655 indicates that ChemDiv3_003808 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003808. Following Lipinski's Rule of Five, ChemDiv3_003808 has 0 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 ChemDiv3_003808?
The CAS number of ChemDiv3_003808 is 314743-87-8.
What is the molecular formula of ChemDiv3_003808?
The molecular formula of ChemDiv3_003808 is C17H17ClO5.
What is the molecular weight of ChemDiv3_003808?
The molecular weight of ChemDiv3_003808 is 336.08 g/mol.
Where can I buy ChemDiv3_003808?
You can request a quote for ChemDiv3_003808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003808?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.