RefChem:237405
TL;DR: RefChem:237405 (CAS 3888-99-1) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxylate
Also Known As: 4-Fluor-3-nitro-benzolsulfonsaeure, 6-Methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole-2-carboxylic acid ethyl ester, 1H-Azepino(5,4,3-cd)indole-2-carboxylic acid, 3,4,5,6-tetrahydro-6-methyl-, ethyl ester, 3,4,5,6-Tetrahydro-6-methyl-1H-azepino[5,4,3-cd]indole-2-carboxylic acid ethyl ester, ethyl 1-methyl-2,3,4,6-tetrahydro-1H-azepino[5,4,3-cd]indole-5-carboxylate
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 3888-99-1 |
|---|---|
| SMILES | CCOC(=O)C1=C2CCNC(C3=C2C(=CC=C3)N1)C |
| InChIKey | JYYDFPIULWIIAW-UHFFFAOYSA-N |
Product Overview
RefChem:237405 (CAS 3888-99-1), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: ethyl 9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxylate.
Chemical Property Profile of RefChem:237405
Property Insights of RefChem:237405
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:237405. With a topological polar surface area (TPSA) of 54.1 Ų, RefChem:237405 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237405 has 2 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:237405?
The CAS number of RefChem:237405 is 3888-99-1.
What is the molecular formula of RefChem:237405?
The molecular formula of RefChem:237405 is C15H18N2O2.
What is the molecular weight of RefChem:237405?
The molecular weight of RefChem:237405 is 258.14 g/mol.
Where can I buy RefChem:237405?
You can request a quote for RefChem:237405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237405?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.