AB00111718-01
TL;DR: AB00111718-01 (CAS 429650-29-3) is a chemical compound with molecular formula C23H18N4O3S2 and molecular weight 462.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide
Also Known As: AB00111718-01, N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide, N-{[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
| Molecular Formula | C23H18N4O3S2 |
|---|---|
| Molecular Weight | 462.08 g/mol |
| LogP | 5.61514 |
| Topological Polar Surface Area | 97.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.08203 |
| Heavy Atoms | 32 |
| Complexity | 1347.9366 |
Chemical Identifiers
| CAS Number | 429650-29-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=NC4=CC=CC=C4S3 |
Product Overview
AB00111718-01 (CAS 429650-29-3), with molecular formula C23H18N4O3S2 and molecular weight 462.08 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of AB00111718-01
Property Insights of AB00111718-01
The XLogP value of 5.61514 indicates that AB00111718-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111718-01. Following Lipinski's Rule of Five, AB00111718-01 has 2 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 AB00111718-01?
The CAS number of AB00111718-01 is 429650-29-3.
What is the molecular formula of AB00111718-01?
The molecular formula of AB00111718-01 is C23H18N4O3S2.
What is the molecular weight of AB00111718-01?
The molecular weight of AB00111718-01 is 462.08 g/mol.
Where can I buy AB00111718-01?
You can request a quote for AB00111718-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111718-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111718-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.