RefChem:236858
TL;DR: RefChem:236858 (CAS 67767-00-4) is a chemical compound with molecular formula C21H29N3O and molecular weight 339.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[2-(diethylamino)ethyl]-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-15-one
Also Known As: 1H,7H-Cyclohepta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-(2-(diethylamino)ethyl)-, 3-(2-Diethylamino-ethyl)-8,9,10,11-tetrahydro-3H,7H-3,11b-diaza-cyclohepta[a]acenaphthylen-2-one, 3-(2-diethylamino-ethyl)-8,9,10,11-tetrahydro-3H,7H-cyclohepta[4,5]pyrrolo[1,2,3-de]quinoxalin-2-one, 3-[2-(Diethylamino)ethyl]-3,7,8,9,10,11-hexahydrocyclohepta[b]pyrrolo[1,2,3-de]quinoxalin-2(1H)-one, BRN 0899169
| Molecular Formula | C21H29N3O |
|---|---|
| Molecular Weight | 339.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.23105 |
| Heavy Atoms | 25 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 67767-00-4 |
|---|---|
| SMILES | CCN(CC)CCC1C=CC2=NC3=C(CCCCC3)N4C2=C1C(=O)C4 |
| InChIKey | LRBMKUYROQBPOV-UHFFFAOYSA-N |
Product Overview
RefChem:236858 (CAS 67767-00-4), with molecular formula C21H29N3O and molecular weight 339.23 g/mol. IUPAC: 13-[2-(diethylamino)ethyl]-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-15-one.
Chemical Property Profile of RefChem:236858
Property Insights of RefChem:236858
The XLogP value of 3.1 indicates that RefChem:236858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, RefChem:236858 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:236858 has 0 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 RefChem:236858?
The CAS number of RefChem:236858 is 67767-00-4.
What is the molecular formula of RefChem:236858?
The molecular formula of RefChem:236858 is C21H29N3O.
What is the molecular weight of RefChem:236858?
The molecular weight of RefChem:236858 is 339.23 g/mol.
Where can I buy RefChem:236858?
You can request a quote for RefChem:236858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236858?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.