Mycobacterium Tuberculosis Inhibitor
TL;DR: Mycobacterium Tuberculosis Inhibitor (CAS 1005045-39-5) is a chemical compound with molecular formula C26H21N3O5S2 and molecular weight 519.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: Mycobacterium Tuberculosis Inhibitor, Methyl 4-[[2-[[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate, 4-{2-[6-(3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-benzothiazol-2-ylsulfanyl]-acetylamino}-benzoic acid methyl ester, methyl 4-(2-((6-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzo[d]thiazol-2-yl)thio)acetamido)benzoate, methyl 4-[({[6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C26H21N3O5S2 |
|---|---|
| Molecular Weight | 519.09 g/mol |
| LogP | 4.1252 |
| Topological Polar Surface Area | 105.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.0923 |
| Heavy Atoms | 36 |
| Complexity | 1417.5356 |
Chemical Identifiers
| CAS Number | 1005045-39-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6 |
Product Overview
Mycobacterium Tuberculosis Inhibitor (CAS 1005045-39-5), with molecular formula C26H21N3O5S2 and molecular weight 519.09 g/mol. IUPAC: methyl 4-[[2-[[6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Mycobacterium Tuberculosis Inhibitor
Property Insights of Mycobacterium Tuberculosis Inhibitor
The XLogP value of 4.1252 indicates that Mycobacterium Tuberculosis Inhibitor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Mycobacterium Tuberculosis Inhibitor. Following Lipinski's Rule of Five, Mycobacterium Tuberculosis Inhibitor has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mycobacterium Tuberculosis Inhibitor?
The CAS number of Mycobacterium Tuberculosis Inhibitor is 1005045-39-5.
What is the molecular formula of Mycobacterium Tuberculosis Inhibitor?
The molecular formula of Mycobacterium Tuberculosis Inhibitor is C26H21N3O5S2.
What is the molecular weight of Mycobacterium Tuberculosis Inhibitor?
The molecular weight of Mycobacterium Tuberculosis Inhibitor is 519.09 g/mol.
Where can I buy Mycobacterium Tuberculosis Inhibitor?
You can request a quote for Mycobacterium Tuberculosis Inhibitor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycobacterium Tuberculosis Inhibitor?
Yes, KEHONG BIO provides custom synthesis services for Mycobacterium Tuberculosis Inhibitor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.