RefChem:1050053
TL;DR: RefChem:1050053 (CAS 7256-35-1) is a chemical compound with molecular formula C21H23N3O and molecular weight 333.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)methanone
Also Known As: OPWYHABVMQCCBC-UHFFFAOYSA-, 1,4-Ethano-1H-pyrido[3,2-b][1,5]benzodiazepine, 10-benzoyl-2,3,4,4a,5,10,11,11a-octahydro-, 10-Benzoyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine, 3,3'-bis-hydroxymethyl-1,1'-methanediyl-bis-imidazolidin-2-one, 1,4-Ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine, 2,3,4,4a,5,10,11,11a-octahydro-10-benzoyl-
| Molecular Formula | C21H23N3O |
|---|---|
| Molecular Weight | 333.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.1841 |
| Heavy Atoms | 25 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 7256-35-1 |
|---|---|
| SMILES | C1CN2CCC1C3C2CN(C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5 |
| InChIKey | OPWYHABVMQCCBC-UHFFFAOYSA-N |
Product Overview
RefChem:1050053 (CAS 7256-35-1), with molecular formula C21H23N3O and molecular weight 333.18 g/mol. IUPAC: phenyl(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)methanone.
Chemical Property Profile of RefChem:1050053
Property Insights of RefChem:1050053
The XLogP value of 3.4 indicates that RefChem:1050053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, RefChem:1050053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1050053 has 1 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 RefChem:1050053?
The CAS number of RefChem:1050053 is 7256-35-1.
What is the molecular formula of RefChem:1050053?
The molecular formula of RefChem:1050053 is C21H23N3O.
What is the molecular weight of RefChem:1050053?
The molecular weight of RefChem:1050053 is 333.18 g/mol.
Where can I buy RefChem:1050053?
You can request a quote for RefChem:1050053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1050053?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1050053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.