ChemDiv1_027620
TL;DR: ChemDiv1_027620 (CAS 309273-72-1) is a chemical compound with molecular formula C27H17ClF3NO3 and molecular weight 495.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-17-[2-chloro-5-(trifluoromethyl)phenyl]-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_027620, BIM-0034674.P001, A2080/0087455, 1-acetyl-17-[2-chloro-5-(trifluoromethyl)phenyl]-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, 1-acetyl-17-[2-chloro-5-(trifluoromethyl)phenyl]-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 | C27H17ClF3NO3 |
|---|---|
| Molecular Weight | 495.08 g/mol |
| LogP | 5.4986 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 495.0849 |
| Heavy Atoms | 35 |
| Complexity | 1416.5208 |
Chemical Identifiers
| CAS Number | 309273-72-1 |
|---|---|
| SMILES | CC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=C(C=CC(=C6)C(F)(F)F)Cl |
Product Overview
ChemDiv1_027620 (CAS 309273-72-1), with molecular formula C27H17ClF3NO3 and molecular weight 495.08 g/mol. IUPAC: 1-acetyl-17-[2-chloro-5-(trifluoromethyl)phenyl]-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_027620
Property Insights of ChemDiv1_027620
The XLogP value of 5.4986 indicates that ChemDiv1_027620 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, ChemDiv1_027620 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_027620 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_027620?
The CAS number of ChemDiv1_027620 is 309273-72-1.
What is the molecular formula of ChemDiv1_027620?
The molecular formula of ChemDiv1_027620 is C27H17ClF3NO3.
What is the molecular weight of ChemDiv1_027620?
The molecular weight of ChemDiv1_027620 is 495.08 g/mol.
Where can I buy ChemDiv1_027620?
You can request a quote for ChemDiv1_027620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027620?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.