BAS 00547512
TL;DR: BAS 00547512 (CAS 306324-82-3) is a chemical compound with molecular formula C23H26ClNO6 and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-5-nitrophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: BAS 00547512, AB00078138-01, 2-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, 2-[(2-CHLORO-5-NITROPHENYL)(2-HYDROXY-4,4-DIMETHYL-6-OXO-1-CYCLOHEXENYL)METHYL]-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE, 2-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C23H26ClNO6 |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 5.1074 |
| Topological Polar Surface Area | 114.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.14487 |
| Heavy Atoms | 31 |
| Complexity | 1002.89307 |
Chemical Identifiers
| CAS Number | 306324-82-3 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=C(CC(CC3=O)(C)C)O)C |
Product Overview
BAS 00547512 (CAS 306324-82-3), with molecular formula C23H26ClNO6 and molecular weight 447.14 g/mol. IUPAC: 2-[(2-chloro-5-nitrophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of BAS 00547512
Property Insights of BAS 00547512
The XLogP value of 5.1074 indicates that BAS 00547512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.58 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00547512. Following Lipinski's Rule of Five, BAS 00547512 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00547512?
The CAS number of BAS 00547512 is 306324-82-3.
What is the molecular formula of BAS 00547512?
The molecular formula of BAS 00547512 is C23H26ClNO6.
What is the molecular weight of BAS 00547512?
The molecular weight of BAS 00547512 is 447.14 g/mol.
Where can I buy BAS 00547512?
You can request a quote for BAS 00547512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00547512?
Yes, KEHONG BIO provides custom synthesis services for BAS 00547512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.