BAS 00605320
TL;DR: BAS 00605320 (CAS 304481-35-4) is a chemical compound with molecular formula C21H25BrO4S and molecular weight 452.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromothiophen-2-yl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: BAS 00605320, 2-[(5-bromo-2-thienyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, AB00075089-01, 2-[(5-bromothiophen-2-yl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[(5-bromo(2-thienyl))(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)methyl] -5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C21H25BrO4S |
|---|---|
| Molecular Weight | 452.07 g/mol |
| LogP | 5.3698 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.0657 |
| Heavy Atoms | 27 |
| Complexity | 826.118 |
Chemical Identifiers
| CAS Number | 304481-35-4 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(S2)Br)C3=C(CC(CC3=O)(C)C)O)C |
Product Overview
BAS 00605320 (CAS 304481-35-4), with molecular formula C21H25BrO4S and molecular weight 452.07 g/mol. IUPAC: 2-[(5-bromothiophen-2-yl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of BAS 00605320
Property Insights of BAS 00605320
The XLogP value of 5.3698 indicates that BAS 00605320 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00605320. Following Lipinski's Rule of Five, BAS 00605320 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00605320?
The CAS number of BAS 00605320 is 304481-35-4.
What is the molecular formula of BAS 00605320?
The molecular formula of BAS 00605320 is C21H25BrO4S.
What is the molecular weight of BAS 00605320?
The molecular weight of BAS 00605320 is 452.07 g/mol.
Where can I buy BAS 00605320?
You can request a quote for BAS 00605320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00605320?
Yes, KEHONG BIO provides custom synthesis services for BAS 00605320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.