BAS 00652841
TL;DR: BAS 00652841 (CAS 328243-14-7) is a chemical compound with molecular formula C21H14I2N2O2S and molecular weight 611.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Also Known As: BAS 00652841, A1688/0072088, (2E)-2-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one, 2-[3,5-diiodo-2-(2-propynyloxy)benzylidene]-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one, (2E)-2-[3,5-diiodo-2-(prop-2-yn-1-yloxy)benzylidene]-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
| Molecular Formula | C21H14I2N2O2S |
|---|---|
| Molecular Weight | 611.89 g/mol |
| LogP | 4.29494 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 611.88654 |
| Heavy Atoms | 28 |
| Complexity | 1396.5365 |
Chemical Identifiers
| CAS Number | 328243-14-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N3C(=O)/C(=C\C4=C(C(=CC(=C4)I)I)OCC#C)/SC3=N2 |
Product Overview
BAS 00652841 (CAS 328243-14-7), with molecular formula C21H14I2N2O2S and molecular weight 611.89 g/mol. IUPAC: (2E)-2-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
Chemical Property Profile of BAS 00652841
Property Insights of BAS 00652841
The XLogP value of 4.29494 indicates that BAS 00652841 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, BAS 00652841 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00652841 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00652841?
The CAS number of BAS 00652841 is 328243-14-7.
What is the molecular formula of BAS 00652841?
The molecular formula of BAS 00652841 is C21H14I2N2O2S.
What is the molecular weight of BAS 00652841?
The molecular weight of BAS 00652841 is 611.89 g/mol.
Where can I buy BAS 00652841?
You can request a quote for BAS 00652841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00652841?
Yes, KEHONG BIO provides custom synthesis services for BAS 00652841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.