4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde
TL;DR: 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde (CAS 478248-74-7) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylsulfanylpyrazolidine-1,2-dicarbaldehyde
Also Known As: 4-(phenylsulfanyl)pyrazolidine-1,2-dicarbaldehyde, 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde, 4-phenylsulfanylpyrazolidine-1,2-dicarbaldehyde, 9P-749
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 0.9927 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 355.50714 |
Chemical Identifiers
| CAS Number | 478248-74-7 |
|---|---|
| SMILES | C1C(CN(N1C=O)C=O)SC2=CC=CC=C2 |
Product Overview
4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde (CAS 478248-74-7), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 4-phenylsulfanylpyrazolidine-1,2-dicarbaldehyde.
Chemical Property Profile of 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde
Property Insights of 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde
The XLogP value of 0.9927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde. With a topological polar surface area (TPSA) of 40.62 Ų, 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde has 0 hydrogen bond donor(s) and 3 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-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde?
The CAS number of 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde is 478248-74-7.
What is the molecular formula of 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde?
The molecular formula of 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde is C11H12N2O2S.
What is the molecular weight of 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde?
The molecular weight of 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde is 236.06 g/mol.
Where can I buy 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde?
You can request a quote for 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(phenylsulfanyl)dihydro-1H-pyrazole-1,2(3H)-dicarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.