NCI60_000298
TL;DR: NCI60_000298 (CAS 47862-93-1) is a chemical compound with molecular formula C38H49N3O5 and molecular weight 627.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one
Also Known As: NCI60_000298, 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenyl-propan-1-one, 2-Amino-3-phenyl-1-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-1-one, 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one, Emetan, 2a(2)-(2-amino-1-oxo-3-phenylpropyl)-6a(2),7a(2),10,11-tetramethoxy-, [2a(2)(S)]-
| Molecular Formula | C38H49N3O5 |
|---|---|
| Molecular Weight | 627.37 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 627.36725 |
| Heavy Atoms | 46 |
| Complexity | 978.0 |
Chemical Identifiers
| CAS Number | 47862-93-1 |
|---|---|
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)C(CC6=CC=CC=C6)N)OC)OC)OC)OC |
| InChIKey | FUMCCVPXFNXOKW-UHFFFAOYSA-N |
Product Overview
NCI60_000298 (CAS 47862-93-1), with molecular formula C38H49N3O5 and molecular weight 627.37 g/mol. IUPAC: 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one.
Chemical Property Profile of NCI60_000298
Property Insights of NCI60_000298
The XLogP value of 5.7 indicates that NCI60_000298 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_000298. Following Lipinski's Rule of Five, NCI60_000298 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_000298?
The CAS number of NCI60_000298 is 47862-93-1.
What is the molecular formula of NCI60_000298?
The molecular formula of NCI60_000298 is C38H49N3O5.
What is the molecular weight of NCI60_000298?
The molecular weight of NCI60_000298 is 627.37 g/mol.
Where can I buy NCI60_000298?
You can request a quote for NCI60_000298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_000298?
Yes, KEHONG BIO provides custom synthesis services for NCI60_000298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.