3,14-Dihydroangustine
TL;DR: 3,14-Dihydroangustine (CAS 97168-60-0) is a chemical compound with molecular formula C20H17N3O and molecular weight 315.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
19-ethenyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one
Also Known As: 3,14-Dihydroangustine, Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridin-5(7H)-one, 1-ethenyl-8,13,13b,14-tetrahydro, 1-Ethenyl-8,13,13b,14-tetrahydroindolo[2 ,3 :3,4]pyrido[1,2-b][2,7]naphthyridin-5(7H)-one, 1-Ethenyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[1,2-b][2,7]naphthyridin-5(7H)-one, 19-ethenyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one
| Molecular Formula | C20H17N3O |
|---|---|
| Molecular Weight | 315.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.13718 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 97168-60-0 |
|---|---|
| SMILES | C=CC1=CN=CC2=C1CC3C4=C(CCN3C2=O)C5=CC=CC=C5N4 |
| InChIKey | IXOJTVYILPQBAA-UHFFFAOYSA-N |
Product Overview
3,14-Dihydroangustine (CAS 97168-60-0), with molecular formula C20H17N3O and molecular weight 315.14 g/mol. IUPAC: 19-ethenyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one.
Chemical Property Profile of 3,14-Dihydroangustine
Property Insights of 3,14-Dihydroangustine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14-Dihydroangustine. With a topological polar surface area (TPSA) of 49.0 Ų, 3,14-Dihydroangustine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,14-Dihydroangustine has 1 hydrogen bond donor(s) and 2 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 3,14-Dihydroangustine?
The CAS number of 3,14-Dihydroangustine is 97168-60-0.
What is the molecular formula of 3,14-Dihydroangustine?
The molecular formula of 3,14-Dihydroangustine is C20H17N3O.
What is the molecular weight of 3,14-Dihydroangustine?
The molecular weight of 3,14-Dihydroangustine is 315.14 g/mol.
Where can I buy 3,14-Dihydroangustine?
You can request a quote for 3,14-Dihydroangustine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,14-Dihydroangustine?
Yes, KEHONG BIO provides custom synthesis services for 3,14-Dihydroangustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.