BAS 00313030
TL;DR: BAS 00313030 (CAS 20105-06-0) is a chemical compound with molecular formula C18H21NOS and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: BAS 00313030, IDI1_020042, BRD-K60131525-001-01-9, 3-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-one, 3-(3-Ethyl-3H-benzothiazol-2-ylidenemethyl)-5,5-dimethyl-cyclohex-2-enone
| Molecular Formula | C18H21NOS |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 4.7755 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.1344 |
| Heavy Atoms | 21 |
| Complexity | 642.37335 |
Chemical Identifiers
| CAS Number | 20105-06-0 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2S/C1=C\C3=CC(=O)CC(C3)(C)C |
Product Overview
BAS 00313030 (CAS 20105-06-0), with molecular formula C18H21NOS and molecular weight 299.13 g/mol. IUPAC: 3-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of BAS 00313030
Property Insights of BAS 00313030
The XLogP value of 4.7755 indicates that BAS 00313030 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, BAS 00313030 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00313030 has 0 hydrogen bond donor(s) and 3 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 00313030?
The CAS number of BAS 00313030 is 20105-06-0.
What is the molecular formula of BAS 00313030?
The molecular formula of BAS 00313030 is C18H21NOS.
What is the molecular weight of BAS 00313030?
The molecular weight of BAS 00313030 is 299.13 g/mol.
Where can I buy BAS 00313030?
You can request a quote for BAS 00313030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00313030?
Yes, KEHONG BIO provides custom synthesis services for BAS 00313030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.