3,4-Dichloro-N-(1-methylbutyl)benzamide
TL;DR: 3,4-Dichloro-N-(1-methylbutyl)benzamide (CAS 846580-24-3) is a chemical compound with molecular formula C28H23N5O3S and molecular weight 509.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-tert-butylbenzoate
Also Known As: 3,4-Dichloro-N-(1-methylbutyl)benzamide, [4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-tert-butylbenzoate, 4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 4-tert-butylbenzoate, (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-(tert-butyl)benzoate
| Molecular Formula | C28H23N5O3S |
|---|---|
| Molecular Weight | 509.15 g/mol |
| LogP | 5.26577 |
| Topological Polar Surface Area | 108.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.15216 |
| Heavy Atoms | 37 |
| Complexity | 1485.5222 |
Chemical Identifiers
| CAS Number | 846580-24-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5 |
Product Overview
3,4-Dichloro-N-(1-methylbutyl)benzamide (CAS 846580-24-3), with molecular formula C28H23N5O3S and molecular weight 509.15 g/mol. IUPAC: [4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-tert-butylbenzoate.
Chemical Property Profile of 3,4-Dichloro-N-(1-methylbutyl)benzamide
Property Insights of 3,4-Dichloro-N-(1-methylbutyl)benzamide
The XLogP value of 5.26577 indicates that 3,4-Dichloro-N-(1-methylbutyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dichloro-N-(1-methylbutyl)benzamide. Following Lipinski's Rule of Five, 3,4-Dichloro-N-(1-methylbutyl)benzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dichloro-N-(1-methylbutyl)benzamide?
The CAS number of 3,4-Dichloro-N-(1-methylbutyl)benzamide is 846580-24-3.
What is the molecular formula of 3,4-Dichloro-N-(1-methylbutyl)benzamide?
The molecular formula of 3,4-Dichloro-N-(1-methylbutyl)benzamide is C28H23N5O3S.
What is the molecular weight of 3,4-Dichloro-N-(1-methylbutyl)benzamide?
The molecular weight of 3,4-Dichloro-N-(1-methylbutyl)benzamide is 509.15 g/mol.
Where can I buy 3,4-Dichloro-N-(1-methylbutyl)benzamide?
You can request a quote for 3,4-Dichloro-N-(1-methylbutyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichloro-N-(1-methylbutyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichloro-N-(1-methylbutyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.