5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl-
TL;DR: 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl- (CAS 31721-91-2) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethynyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
Also Known As: 1-Aza-5H-dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-ethynyl-, 5-ethynyl-10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-ol, AM-814/41094029, 5H-BENZO(4,5)CYCLOHEPTA(1,2-b)PYRIDIN-5-OL, 10,11-DIHYDRO-5-ETHYNYL-, 5H-Benzo[4,5]cyclohepta[1,2-b]pyridin-5-ol, 5-ethynyl-10,11-dihydro-
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 31721-91-2 |
|---|---|
| SMILES | C#CC1(C2=C(CCC3=CC=CC=C31)N=CC=C2)O |
| InChIKey | CDBZVPAISMFCEH-UHFFFAOYSA-N |
Product Overview
5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl- (CAS 31721-91-2), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 2-ethynyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol.
Chemical Property Profile of 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl-
Property Insights of 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl-. With a topological polar surface area (TPSA) of 33.1 Ų, 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl- 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 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl-?
The CAS number of 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl- is 31721-91-2.
What is the molecular formula of 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl-?
The molecular formula of 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl- is C16H13NO.
What is the molecular weight of 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl-?
The molecular weight of 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl- is 235.10 g/mol.
Where can I buy 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl-?
You can request a quote for 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl-?
Yes, KEHONG BIO provides custom synthesis services for 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.