BIM-0035949.P001
TL;DR: BIM-0035949.P001 (CAS 41776-86-7) is a chemical compound with molecular formula C18H12N2O3S and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate
Also Known As: BIM-0035949.P001, AB00100135-01, 4-[(Z)-(3-Oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl acetate, A1562/0068058, Thiazolo[3.2-a]benzimidazol-3(2H)-one, 2-(4-acetoxybenzylideno)-
| Molecular Formula | C18H12N2O3S |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.05685 |
| Heavy Atoms | 24 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 41776-86-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2 |
| InChIKey | PLLKTRRPGWULIY-YBEGLDIGSA-N |
Product Overview
BIM-0035949.P001 (CAS 41776-86-7), with molecular formula C18H12N2O3S and molecular weight 336.06 g/mol. IUPAC: [4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of BIM-0035949.P001
Property Insights of BIM-0035949.P001
The XLogP value of 3.8 indicates that BIM-0035949.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0035949.P001. Following Lipinski's Rule of Five, BIM-0035949.P001 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 BIM-0035949.P001?
The CAS number of BIM-0035949.P001 is 41776-86-7.
What is the molecular formula of BIM-0035949.P001?
The molecular formula of BIM-0035949.P001 is C18H12N2O3S.
What is the molecular weight of BIM-0035949.P001?
The molecular weight of BIM-0035949.P001 is 336.06 g/mol.
Where can I buy BIM-0035949.P001?
You can request a quote for BIM-0035949.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0035949.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0035949.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.