RefChem:387501
TL;DR: RefChem:387501 (CAS 41829-15-6) is a chemical compound with molecular formula C18H27N3O3 and molecular weight 333.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(7R,9aS)-6-hydroxy-5-methoxy-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-7-yl]-3-propan-2-ylurea
Also Known As: Urea, 1-(6-hydroxy-5-methoxy-1-methyl-2,3,7,8,9,9a-hexahydro-1H-benzo(de)quinolin-7-yl)-3-isopropyl-, trans-, 2,3,7,8,9,9a-Hexahydro-6-hydroxy-7-(N'-isopropylureido)-1H-benzo(de)chinolin [German], 2,3,7,8,9,9a-Hexahydro-6-hydroxy-7-(N'-isopropylureido)-1H-benzo(de)chinolin, 1-[(7R,9aS)-6-hydroxy-5-methoxy-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-7-yl]-3-propan-2-ylurea, N-[(7R,9aS)-6-Hydroxy-5-methoxy-1-methyl-2,3,7,8,9,9a-hexahydro-1H-benzo[de]quinolin-7-yl]-N'-(propan-2-yl)urea
| Molecular Formula | C18H27N3O3 |
|---|---|
| Molecular Weight | 333.21 g/mol |
| LogP | 2.4723 |
| Topological Polar Surface Area | 73.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.20523 |
| Heavy Atoms | 24 |
| Complexity | 644.8864 |
Chemical Identifiers
| CAS Number | 41829-15-6 |
|---|---|
| SMILES | CC(C)NC(=O)N[C@@H]1CC[C@H]2C3=C1C(=C(C=C3CCN2C)OC)O |
Product Overview
RefChem:387501 (CAS 41829-15-6), with molecular formula C18H27N3O3 and molecular weight 333.21 g/mol. IUPAC: 1-[(7R,9aS)-6-hydroxy-5-methoxy-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-7-yl]-3-propan-2-ylurea.
Chemical Property Profile of RefChem:387501
Property Insights of RefChem:387501
The XLogP value of 2.4723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:387501. The TPSA of 73.83 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:387501. Following Lipinski's Rule of Five, RefChem:387501 has 3 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:387501?
The CAS number of RefChem:387501 is 41829-15-6.
What is the molecular formula of RefChem:387501?
The molecular formula of RefChem:387501 is C18H27N3O3.
What is the molecular weight of RefChem:387501?
The molecular weight of RefChem:387501 is 333.21 g/mol.
Where can I buy RefChem:387501?
You can request a quote for RefChem:387501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:387501?
Yes, KEHONG BIO provides custom synthesis services for RefChem:387501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.