Chemical Compound (C29H21N4OS3+)
TL;DR: Chemical Compound (C29H21N4OS3+) (CAS 6505-85-7) is a chemical compound with molecular formula C29H21N4OS3+ and molecular weight 537.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one
| Molecular Formula | C29H21N4OS3+ |
|---|---|
| Molecular Weight | 537.09 g/mol |
| LogP | 4.5988 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 537.08777 |
| Heavy Atoms | 37 |
| Complexity | 2022.1051 |
Chemical Identifiers
| CAS Number | 6505-85-7 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=C3C(=O)N4C(=CC5=[N+](C6=CC=CC=C6S5)C)C=C(N=C4S3)C7=CC=CC=C7 |
Product Overview
Chemical Compound (C29H21N4OS3+) (CAS 6505-85-7), with molecular formula C29H21N4OS3+ and molecular weight 537.09 g/mol. IUPAC: 5-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
Chemical Property Profile of Chemical Compound (C29H21N4OS3+)
Property Insights of Chemical Compound (C29H21N4OS3+)
The XLogP value of 4.5988 indicates that Chemical Compound (C29H21N4OS3+) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.49 Ų, Chemical Compound (C29H21N4OS3+) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chemical Compound (C29H21N4OS3+) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chemical Compound (C29H21N4OS3+)?
The CAS number of Chemical Compound (C29H21N4OS3+) is 6505-85-7.
What is the molecular formula of Chemical Compound (C29H21N4OS3+)?
The molecular formula of Chemical Compound (C29H21N4OS3+) is C29H21N4OS3+.
What is the molecular weight of Chemical Compound (C29H21N4OS3+)?
The molecular weight of Chemical Compound (C29H21N4OS3+) is 537.09 g/mol.
Where can I buy Chemical Compound (C29H21N4OS3+)?
You can request a quote for Chemical Compound (C29H21N4OS3+) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C29H21N4OS3+)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C29H21N4OS3+) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.