BAS 00652844
TL;DR: BAS 00652844 (CAS 330841-72-0) is a chemical compound with molecular formula C20H13IN2O3S and molecular weight 487.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Also Known As: BAS 00652844, AB00091761-01, A1688/0072091, (2E)-2-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one, 2-[3-iodo-5-methoxy-4-(2-propynyloxy)benzylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
| Molecular Formula | C20H13IN2O3S |
|---|---|
| Molecular Weight | 487.97 g/mol |
| LogP | 3.0821 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.96915 |
| Heavy Atoms | 27 |
| Complexity | 1317.231 |
Chemical Identifiers
| CAS Number | 330841-72-0 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/2\C(=O)N3C4=CC=CC=C4N=C3S2)I)OCC#C |
Product Overview
BAS 00652844 (CAS 330841-72-0), with molecular formula C20H13IN2O3S and molecular weight 487.97 g/mol. IUPAC: (2E)-2-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
Chemical Property Profile of BAS 00652844
Property Insights of BAS 00652844
The XLogP value of 3.0821 indicates that BAS 00652844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.83 Ų, BAS 00652844 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00652844 has 0 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 00652844?
The CAS number of BAS 00652844 is 330841-72-0.
What is the molecular formula of BAS 00652844?
The molecular formula of BAS 00652844 is C20H13IN2O3S.
What is the molecular weight of BAS 00652844?
The molecular weight of BAS 00652844 is 487.97 g/mol.
Where can I buy BAS 00652844?
You can request a quote for BAS 00652844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00652844?
Yes, KEHONG BIO provides custom synthesis services for BAS 00652844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.