ChemDiv3_006245
TL;DR: ChemDiv3_006245 (CAS 799800-02-5) is a chemical compound with molecular formula C28H31NO4 and molecular weight 445.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2,2-dimethoxyethyl)-2,5-diphenylpyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Also Known As: ChemDiv3_006245, IDI1_024155, 2-[1-(2,2-dimethoxyethyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one, 2-(1-(2,2-dimethoxyethyl)-2,5-diphenyl-1H-pyrrol-3-yl)-3-hydroxy-5,5-dimethylcyclohex-2-enone, 2-[1-(2,2-dimethoxyethyl)-2,5-diphenylpyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
| Molecular Formula | C28H31NO4 |
|---|---|
| Molecular Weight | 445.23 g/mol |
| LogP | 6.0992 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.2253 |
| Heavy Atoms | 33 |
| Complexity | 1155.3679 |
Chemical Identifiers
| CAS Number | 799800-02-5 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C2=C(N(C(=C2)C3=CC=CC=C3)CC(OC)OC)C4=CC=CC=C4)O)C |
Product Overview
ChemDiv3_006245 (CAS 799800-02-5), with molecular formula C28H31NO4 and molecular weight 445.23 g/mol. IUPAC: 2-[1-(2,2-dimethoxyethyl)-2,5-diphenylpyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of ChemDiv3_006245
Property Insights of ChemDiv3_006245
The XLogP value of 6.0992 indicates that ChemDiv3_006245 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006245. Following Lipinski's Rule of Five, ChemDiv3_006245 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_006245?
The CAS number of ChemDiv3_006245 is 799800-02-5.
What is the molecular formula of ChemDiv3_006245?
The molecular formula of ChemDiv3_006245 is C28H31NO4.
What is the molecular weight of ChemDiv3_006245?
The molecular weight of ChemDiv3_006245 is 445.23 g/mol.
Where can I buy ChemDiv3_006245?
You can request a quote for ChemDiv3_006245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006245?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.