4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde
TL;DR: 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde (CAS 95337-70-5) is a chemical compound with molecular formula C13H13NO and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylpyrrol-1-yl)benzaldehyde
Also Known As: 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde, 4- benzaldehyde, 4-(2,5-dimethylpyrrol-1-yl)benzaldehyde, 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBALDEHYDE, dimethylpyrrolylbenzenecarbaldehyde
| Molecular Formula | C13H13NO |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 2.90664 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.09972 |
| Heavy Atoms | 15 |
| Complexity | 460.2371 |
Chemical Identifiers
| CAS Number | 95337-70-5 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C=O)C |
Product Overview
4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde (CAS 95337-70-5), with molecular formula C13H13NO and molecular weight 199.10 g/mol. IUPAC: 4-(2,5-dimethylpyrrol-1-yl)benzaldehyde.
Chemical Property Profile of 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde
Property Insights of 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde
The XLogP value of 2.90664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde has 0 hydrogen bond donor(s) and 1 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-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde?
The CAS number of 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde is 95337-70-5.
What is the molecular formula of 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde?
The molecular formula of 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde is C13H13NO.
What is the molecular weight of 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde?
The molecular weight of 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde is 199.10 g/mol.
Where can I buy 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde?
You can request a quote for 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.