1H-Pyrrole-3,4-dimethanol der.
TL;DR: 1H-Pyrrole-3,4-dimethanol der. (CAS 64618-25-3) is a chemical compound with molecular formula C18H22ClN3O4 and molecular weight 379.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chlorophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Also Known As: 1H-Pyrrole-3,4-dimethanol der., [1-(4-chlorophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate, [1-(4-chlorophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl, [1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate), 1H-Pyrrole-3, 1-(4-chlorophenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester)
| Molecular Formula | C18H22ClN3O4 |
|---|---|
| Molecular Weight | 379.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.12988 |
| Heavy Atoms | 26 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 64618-25-3 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2=CC=C(C=C2)Cl)C)COC(=O)NC)COC(=O)NC |
| InChIKey | OQZVQAADFRFCRU-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3,4-dimethanol der. (CAS 64618-25-3), with molecular formula C18H22ClN3O4 and molecular weight 379.13 g/mol. IUPAC: [1-(4-chlorophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate.
Chemical Property Profile of 1H-Pyrrole-3,4-dimethanol der.
Property Insights of 1H-Pyrrole-3,4-dimethanol der.
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3,4-dimethanol der.. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3,4-dimethanol der.. Following Lipinski's Rule of Five, 1H-Pyrrole-3,4-dimethanol der. has 2 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 1H-Pyrrole-3,4-dimethanol der.?
The CAS number of 1H-Pyrrole-3,4-dimethanol der. is 64618-25-3.
What is the molecular formula of 1H-Pyrrole-3,4-dimethanol der.?
The molecular formula of 1H-Pyrrole-3,4-dimethanol der. is C18H22ClN3O4.
What is the molecular weight of 1H-Pyrrole-3,4-dimethanol der.?
The molecular weight of 1H-Pyrrole-3,4-dimethanol der. is 379.13 g/mol.
Where can I buy 1H-Pyrrole-3,4-dimethanol der.?
You can request a quote for 1H-Pyrrole-3,4-dimethanol der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3,4-dimethanol der.?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3,4-dimethanol der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.