BAS 00605323
TL;DR: BAS 00605323 (CAS 217317-05-0) is a chemical compound with molecular formula C21H25NO6S and molecular weight 419.14 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)-(5-nitrothiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: BAS 00605323, A0393/0018110, 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(5-nitro-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, 2-((2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl){5-nitro-2-thienyl}methyl)-5,5-dimethyl-1,3-cyclohexanedione, 2-[(2-HYDROXY-4,4-DIMETHYL-6-OXO-1-CYCLOHEXENYL)(5-NITRO-2-THIENYL)METHYL]-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE
| Molecular Formula | C21H25NO6S |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 4.5155 |
| Topological Polar Surface Area | 114.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.14026 |
| Heavy Atoms | 29 |
| Complexity | 918.7227 |
Chemical Identifiers
| CAS Number | 217317-05-0 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(S2)[N+](=O)[O-])C3=C(CC(CC3=O)(C)C)O)C |
Product Overview
BAS 00605323 (CAS 217317-05-0), with molecular formula C21H25NO6S and molecular weight 419.14 g/mol. IUPAC: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(5-nitrothiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of BAS 00605323
Property Insights of BAS 00605323
The XLogP value of 4.5155 indicates that BAS 00605323 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 00605323. Following Lipinski's Rule of Five, BAS 00605323 has 1 hydrogen bond donor(s) and 7 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 00605323?
The CAS number of BAS 00605323 is 217317-05-0.
What is the molecular formula of BAS 00605323?
The molecular formula of BAS 00605323 is C21H25NO6S.
What is the molecular weight of BAS 00605323?
The molecular weight of BAS 00605323 is 419.14 g/mol.
Where can I buy BAS 00605323?
You can request a quote for BAS 00605323 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00605323?
Yes, KEHONG BIO provides custom synthesis services for BAS 00605323 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.