BIM-0029985.P001
TL;DR: BIM-0029985.P001 (CAS 5744-44-5) is a chemical compound with molecular formula C21H14N4O5S2 and molecular weight 466.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-2,4-dinitrobenzenecarboximidothioate
Also Known As: BIM-0029985.P001, 1,3-Benzothiazol-2-yl N-(4-methoxyphenyl)-2,4-dinitrobenzene-1-carboximidothioate, 1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-2,4-dinitrobenzenecarboximidothioate
| Molecular Formula | C21H14N4O5S2 |
|---|---|
| Molecular Weight | 466.04 g/mol |
| LogP | 5.9919 |
| Topological Polar Surface Area | 120.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.04056 |
| Heavy Atoms | 32 |
| Complexity | 1319.0762 |
Chemical Identifiers
| CAS Number | 5744-44-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])SC3=NC4=CC=CC=C4S3 |
Product Overview
BIM-0029985.P001 (CAS 5744-44-5), with molecular formula C21H14N4O5S2 and molecular weight 466.04 g/mol. IUPAC: 1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-2,4-dinitrobenzenecarboximidothioate.
Chemical Property Profile of BIM-0029985.P001
Property Insights of BIM-0029985.P001
The XLogP value of 5.9919 indicates that BIM-0029985.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0029985.P001. Following Lipinski's Rule of Five, BIM-0029985.P001 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0029985.P001?
The CAS number of BIM-0029985.P001 is 5744-44-5.
What is the molecular formula of BIM-0029985.P001?
The molecular formula of BIM-0029985.P001 is C21H14N4O5S2.
What is the molecular weight of BIM-0029985.P001?
The molecular weight of BIM-0029985.P001 is 466.04 g/mol.
Where can I buy BIM-0029985.P001?
You can request a quote for BIM-0029985.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0029985.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0029985.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.