1qb9
TL;DR: 1qb9 (CAS 247188-27-8) is a chemical compound with molecular formula C31H31N5O and molecular weight 489.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[2-(1-ethanimidoylpiperidin-4-yl)oxycarbazol-9-yl]methyl]naphthalene-2-carboximidamide
Also Known As: 1qb9, Naphthylamidine template, II, J1.314.487G, 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, 7-[[2-(1-ethanimidoylpiperidin-4-yl)oxycarbazol-9-yl]methyl]naphthalene-2-carboximidamide
| Molecular Formula | C31H31N5O |
|---|---|
| Molecular Weight | 489.25 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.25287 |
| Heavy Atoms | 37 |
| Complexity | 824.0 |
Chemical Identifiers
| CAS Number | 247188-27-8 |
|---|---|
| SMILES | CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C4=CC=CC=C4N3CC5=CC6=C(C=C5)C=CC(=C6)C(=N)N |
| InChIKey | DZLGSWPXZYDHBD-UHFFFAOYSA-N |
Product Overview
1qb9 (CAS 247188-27-8), with molecular formula C31H31N5O and molecular weight 489.25 g/mol. IUPAC: 7-[[2-(1-ethanimidoylpiperidin-4-yl)oxycarbazol-9-yl]methyl]naphthalene-2-carboximidamide.
Chemical Property Profile of 1qb9
Property Insights of 1qb9
The XLogP value of 5.3 indicates that 1qb9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1qb9. Following Lipinski's Rule of Five, 1qb9 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1qb9?
The CAS number of 1qb9 is 247188-27-8.
What is the molecular formula of 1qb9?
The molecular formula of 1qb9 is C31H31N5O.
What is the molecular weight of 1qb9?
The molecular weight of 1qb9 is 489.25 g/mol.
Where can I buy 1qb9?
You can request a quote for 1qb9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1qb9?
Yes, KEHONG BIO provides custom synthesis services for 1qb9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.