C17H16N2O.ClH.1/2H2O
TL;DR: C17H16N2O.ClH.1/2H2O (CAS 67877-77-4) is a chemical compound with molecular formula C17H17ClN2O and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-prop-2-ynyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one;hydrochloride
Also Known As: C17H16N2O.ClH.1/2H2O, C17-H16-N2-O.Cl-H.1/2H2-O, 3-(2-Propynyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one hydrochloride, 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1,2,3,3a,4,5-hexahydro-3-(2-propynyl)-, monohydrochloride, 3-(Prop-2-yn-1-yl)-1,2,3,3a,4,5-hexahydro-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one--hydrogen chloride (1/1)
| Molecular Formula | C17H17ClN2O |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 3.0295 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.10294 |
| Heavy Atoms | 21 |
| Complexity | 755.97125 |
Chemical Identifiers
| CAS Number | 67877-77-4 |
|---|---|
| SMILES | C#CCN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24.Cl |
Product Overview
C17H16N2O.ClH.1/2H2O (CAS 67877-77-4), with molecular formula C17H17ClN2O and molecular weight 300.10 g/mol. IUPAC: 6-prop-2-ynyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one;hydrochloride.
Chemical Property Profile of C17H16N2O.ClH.1/2H2O
Property Insights of C17H16N2O.ClH.1/2H2O
The XLogP value of 3.0295 indicates that C17H16N2O.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.24 Ų, C17H16N2O.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H16N2O.ClH.1/2H2O has 0 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 C17H16N2O.ClH.1/2H2O?
The CAS number of C17H16N2O.ClH.1/2H2O is 67877-77-4.
What is the molecular formula of C17H16N2O.ClH.1/2H2O?
The molecular formula of C17H16N2O.ClH.1/2H2O is C17H17ClN2O.
What is the molecular weight of C17H16N2O.ClH.1/2H2O?
The molecular weight of C17H16N2O.ClH.1/2H2O is 300.10 g/mol.
Where can I buy C17H16N2O.ClH.1/2H2O?
You can request a quote for C17H16N2O.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H16N2O.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C17H16N2O.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.