BAS 00632512
TL;DR: BAS 00632512 (CAS 307338-73-4) is a chemical compound with molecular formula C22H27NO4 and molecular weight 369.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: BAS 00632512, VU0130139-2, 2-((2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(pyridin-3-yl)methyl)-5,5-dimethylcyclohexane-1,3-dione, 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(pyridin-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C22H27NO4 |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.194 |
| Heavy Atoms | 27 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 307338-73-4 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CN=CC=C2)C3=C(CC(CC3=O)(C)C)O)C |
| InChIKey | FTGCYVFTMWERHW-UHFFFAOYSA-N |
Product Overview
BAS 00632512 (CAS 307338-73-4), with molecular formula C22H27NO4 and molecular weight 369.19 g/mol. IUPAC: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of BAS 00632512
Property Insights of BAS 00632512
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00632512. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00632512. Following Lipinski's Rule of Five, BAS 00632512 has 1 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 BAS 00632512?
The CAS number of BAS 00632512 is 307338-73-4.
What is the molecular formula of BAS 00632512?
The molecular formula of BAS 00632512 is C22H27NO4.
What is the molecular weight of BAS 00632512?
The molecular weight of BAS 00632512 is 369.19 g/mol.
Where can I buy BAS 00632512?
You can request a quote for BAS 00632512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00632512?
Yes, KEHONG BIO provides custom synthesis services for BAS 00632512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.