(3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮
TL;DR: (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮 (CAS 92-13-7) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮
3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Also Known As: pilocarpine, Syncarpine, Pilocarpin, Pilocarpol, Pilokarpin
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 92-13-7 |
|---|---|
| SMILES | CCC1C(COC1=O)CC2=CN=CN2C |
| InChIKey | QCHFTSOMWOSFHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮 (CAS 92-13-7), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: 3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one.
Chemical Property Profile of (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮
Property Insights of (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮. With a topological polar surface area (TPSA) of 44.1 Ų, (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮 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 (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮?
The CAS number of (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮 is 92-13-7.
What is the molecular formula of (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮?
The molecular formula of (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮 is C11H16N2O2.
What is the molecular weight of (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮?
The molecular weight of (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮 is 208.12 g/mol.
Where can I buy (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮?
You can request a quote for (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮?
Yes, KEHONG BIO provides custom synthesis services for (3S-顺式)-3-乙基二氢-4-((1-甲基-1H-咪唑-5-基)甲基)-2(3H)-呋喃酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.