4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde
TL;DR: 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde (CAS 697307-02-1) is a chemical compound with molecular formula C10H11NO3S and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-propan-2-ylsulfanylbenzaldehyde
Also Known As: 4-(isopropylsulfanyl)-3-nitrobenzenecarbaldehyde, 3-nitro-4-(propan-2-ylsulfanyl)benzaldehyde, 3-nitro-4-propan-2-ylsulfanylbenzaldehyde, 4-isopropylsulfanyl-3-nitro-benzaldehyde, 12D-052S
| Molecular Formula | C10H11NO3S |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | 2.9078 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.04596 |
| Heavy Atoms | 15 |
| Complexity | 390.25394 |
Chemical Identifiers
| CAS Number | 697307-02-1 |
|---|---|
| SMILES | CC(C)SC1=C(C=C(C=C1)C=O)[N+](=O)[O-] |
Product Overview
4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde (CAS 697307-02-1), with molecular formula C10H11NO3S and molecular weight 225.05 g/mol. IUPAC: 3-nitro-4-propan-2-ylsulfanylbenzaldehyde.
Chemical Property Profile of 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde
Property Insights of 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde
The XLogP value of 2.9078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde. Following Lipinski's Rule of Five, 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde?
The CAS number of 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde is 697307-02-1.
What is the molecular formula of 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde?
The molecular formula of 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde is C10H11NO3S.
What is the molecular weight of 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde?
The molecular weight of 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde is 225.05 g/mol.
Where can I buy 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde?
You can request a quote for 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.