ChemDiv1_026221
TL;DR: ChemDiv1_026221 (CAS 309727-20-6) is a chemical compound with molecular formula C27H22ClNO2 and molecular weight 427.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(3-chloro-4-methylphenyl)-1-ethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: ChemDiv1_026221, BIM-0046895.P001, A2226/0093799, 17-(3-chloro-4-methylphenyl)-1-ethyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione, 17-(3-chloro-4-methylphenyl)-1-ethyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
| Molecular Formula | C27H22ClNO2 |
|---|---|
| Molecular Weight | 427.13 g/mol |
| LogP | 5.60922 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.1339 |
| Heavy Atoms | 31 |
| Complexity | 1232.233 |
Chemical Identifiers
| CAS Number | 309727-20-6 |
|---|---|
| SMILES | CCC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=C(C=C6)C)Cl |
Product Overview
ChemDiv1_026221 (CAS 309727-20-6), with molecular formula C27H22ClNO2 and molecular weight 427.13 g/mol. IUPAC: 17-(3-chloro-4-methylphenyl)-1-ethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of ChemDiv1_026221
Property Insights of ChemDiv1_026221
The XLogP value of 5.60922 indicates that ChemDiv1_026221 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, ChemDiv1_026221 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_026221 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_026221?
The CAS number of ChemDiv1_026221 is 309727-20-6.
What is the molecular formula of ChemDiv1_026221?
The molecular formula of ChemDiv1_026221 is C27H22ClNO2.
What is the molecular weight of ChemDiv1_026221?
The molecular weight of ChemDiv1_026221 is 427.13 g/mol.
Where can I buy ChemDiv1_026221?
You can request a quote for ChemDiv1_026221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026221?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.