![3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide structure](/static/products/5402/5402-76-6.webp)
3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide
TL;DR: 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide (CAS 5402-76-6) is a chemical compound with molecular formula C22H13Cl3N4OS and molecular weight 485.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide
Also Known As: 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide, 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide
| Molecular Formula | C22H13Cl3N4OS |
|---|---|
| Molecular Weight | 485.99 g/mol |
| LogP | 7.15612 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 485.98758 |
| Heavy Atoms | 31 |
| Complexity | 1474.2205 |
Chemical Identifiers
| CAS Number | 5402-76-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl |
Product Overview
3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide (CAS 5402-76-6), with molecular formula C22H13Cl3N4OS and molecular weight 485.99 g/mol. IUPAC: 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide
Property Insights of 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide
The XLogP value of 7.15612 indicates that 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide?
The CAS number of 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide is 5402-76-6.
What is the molecular formula of 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide?
The molecular formula of 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide is C22H13Cl3N4OS.
What is the molecular weight of 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide?
The molecular weight of 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide is 485.99 g/mol.
Where can I buy 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide?
You can request a quote for 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.