牛眼马钱醇碱
TL;DR: 牛眼马钱醇碱 (CAS 40041-95-0) is a chemical compound with molecular formula C20H17N3O2 and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
牛眼马钱醇碱
19-(1-hydroxyethyl)-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
Also Known As: Angustoline, (+-)-Angustolin, ACon1_001552, BRD-A66206989-001-01-4, 19-(1-hydroxyethyl)-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
| Molecular Formula | C20H17N3O2 |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | 3.1542 |
| Topological Polar Surface Area | 70.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.13208 |
| Heavy Atoms | 25 |
| Complexity | 1200.9834 |
Chemical Identifiers
| CAS Number | 40041-95-0 |
|---|---|
| SMILES | CC(C1=C2C=C3C4=C(CCN3C(=O)C2=CN=C1)C5=CC=CC=C5N4)O |
Product Overview
牛眼马钱醇碱 (CAS 40041-95-0), with molecular formula C20H17N3O2 and molecular weight 331.13 g/mol. IUPAC: 19-(1-hydroxyethyl)-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one.
Chemical Property Profile of 牛眼马钱醇碱
Property Insights of 牛眼马钱醇碱
The XLogP value of 3.1542 indicates that 牛眼马钱醇碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 牛眼马钱醇碱. Following Lipinski's Rule of Five, 牛眼马钱醇碱 has 2 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 牛眼马钱醇碱?
The CAS number of 牛眼马钱醇碱 is 40041-95-0.
What is the molecular formula of 牛眼马钱醇碱?
The molecular formula of 牛眼马钱醇碱 is C20H17N3O2.
What is the molecular weight of 牛眼马钱醇碱?
The molecular weight of 牛眼马钱醇碱 is 331.13 g/mol.
Where can I buy 牛眼马钱醇碱?
You can request a quote for 牛眼马钱醇碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 牛眼马钱醇碱?
Yes, KEHONG BIO provides custom synthesis services for 牛眼马钱醇碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.