1H-Pyrrole-3,4-dimethanol der.
TL;DR: 1H-Pyrrole-3,4-dimethanol der. (CAS 64618-23-1) is a chemical compound with molecular formula C18H23N3O4 and molecular weight 345.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5-dimethyl-4-(methylcarbamoyloxymethyl)-1-phenylpyrrol-3-yl]methyl N-methylcarbamate
Also Known As: 1H-Pyrrole-3,4-dimethanol der., [2,5-dimethyl-4-(methylcarbamoyloxymethyl)-1-phenylpyrrol-3-yl]methyl N-methylcarbamate, [2,5-dimethyl-4-(methylcarbamoyloxymethyl)-1-phenylpyrrol-3-, 1H-Pyrrole-3, 2,5-dimethyl-1-phenyl-, bis(methylcarbamate) (ester), (2,5-Dimethyl-1-phenyl-1H-pyrrole-3,4-diyl)bis(methylene) bis(methylcarbamate)
| Molecular Formula | C18H23N3O4 |
|---|---|
| Molecular Weight | 345.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.16885 |
| Heavy Atoms | 25 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 64618-23-1 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2=CC=CC=C2)C)COC(=O)NC)COC(=O)NC |
| InChIKey | JPRGMKYLCVCCNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole-3,4-dimethanol der. (CAS 64618-23-1), with molecular formula C18H23N3O4 and molecular weight 345.17 g/mol. IUPAC: [2,5-dimethyl-4-(methylcarbamoyloxymethyl)-1-phenylpyrrol-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 2.2 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 64618-23-1.
What is the molecular formula of 1H-Pyrrole-3,4-dimethanol der.?
The molecular formula of 1H-Pyrrole-3,4-dimethanol der. is C18H23N3O4.
What is the molecular weight of 1H-Pyrrole-3,4-dimethanol der.?
The molecular weight of 1H-Pyrrole-3,4-dimethanol der. is 345.17 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.