RefChem:375977
TL;DR: RefChem:375977 (CAS 42139-71-9) is a chemical compound with molecular formula C20H27N3O2 and molecular weight 341.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-2-yl acetate
Also Known As: dl-2-(3-Acetoxybutyl)-1,2,3,4,6,7,12,12a-octahydropyrazino(2',1':6,1)pyrido(3,4-b)indole, Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-acetoxybutyl)-, dl-, 4-(3,4,6,7,12,12a-Hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-2-yl acetate, Pyrazino[1',2':1,6]pyrido[3,4-b]indole-2(1H)-propanol, 3,4,6,7,12,12a-hexahydro-.alpha.-methyl-, acetate (ester), BRN 0627155
| Molecular Formula | C20H27N3O2 |
|---|---|
| Molecular Weight | 341.21 g/mol |
| LogP | 2.5519 |
| Topological Polar Surface Area | 48.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.21033 |
| Heavy Atoms | 25 |
| Complexity | 769.3871 |
Chemical Identifiers
| CAS Number | 42139-71-9 |
|---|---|
| SMILES | CC(CCN1CCN2CC3=C(CC2C1)C4=CC=CC=C4N3)OC(=O)C |
Product Overview
RefChem:375977 (CAS 42139-71-9), with molecular formula C20H27N3O2 and molecular weight 341.21 g/mol. IUPAC: 4-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-2-yl acetate.
Chemical Property Profile of RefChem:375977
Property Insights of RefChem:375977
The XLogP value of 2.5519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:375977. With a topological polar surface area (TPSA) of 48.57 Ų, RefChem:375977 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:375977 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 RefChem:375977?
The CAS number of RefChem:375977 is 42139-71-9.
What is the molecular formula of RefChem:375977?
The molecular formula of RefChem:375977 is C20H27N3O2.
What is the molecular weight of RefChem:375977?
The molecular weight of RefChem:375977 is 341.21 g/mol.
Where can I buy RefChem:375977?
You can request a quote for RefChem:375977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:375977?
Yes, KEHONG BIO provides custom synthesis services for RefChem:375977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.