C16-H15-N3-O2
TL;DR: C16-H15-N3-O2 (CAS 31719-68-3) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylideneamino] N-methylcarbamate
Also Known As: 1-Aza-5H-dibenzo(a,d)cycloheptene, 10,11-dihydro-5-hydroxyimino-, methylcarbamate, 10,11-Dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-5-one O-(methylcarbamoyl)oxime, 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-one, 10,11-dihydro-, O-(methylcarbamoyl)oxime, 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-5-hydroxyimino-, methylcarbamate, 5H-Benzo[4,5]cyclohepta[1,2-b]pyridin-5-one, 10,11-dihydro-, O-(methylcarbamoyl)oxime
| Molecular Formula | C16H15N3O2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 2.2886 |
| Topological Polar Surface Area | 63.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.11642 |
| Heavy Atoms | 21 |
| Complexity | 660.6732 |
Chemical Identifiers
| CAS Number | 31719-68-3 |
|---|---|
| SMILES | CNC(=O)O/N=C\1/C2=C(CCC3=CC=CC=C31)N=CC=C2 |
Product Overview
C16-H15-N3-O2 (CAS 31719-68-3), with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol. IUPAC: [(E)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylideneamino] N-methylcarbamate.
Chemical Property Profile of C16-H15-N3-O2
Property Insights of C16-H15-N3-O2
The XLogP value of 2.2886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16-H15-N3-O2. The TPSA of 63.58 Ų falls within the moderate polarity range, balancing permeability and solubility for C16-H15-N3-O2. Following Lipinski's Rule of Five, C16-H15-N3-O2 has 1 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 C16-H15-N3-O2?
The CAS number of C16-H15-N3-O2 is 31719-68-3.
What is the molecular formula of C16-H15-N3-O2?
The molecular formula of C16-H15-N3-O2 is C16H15N3O2.
What is the molecular weight of C16-H15-N3-O2?
The molecular weight of C16-H15-N3-O2 is 281.12 g/mol.
Where can I buy C16-H15-N3-O2?
You can request a quote for C16-H15-N3-O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16-H15-N3-O2?
Yes, KEHONG BIO provides custom synthesis services for C16-H15-N3-O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.