吲哚宾
TL;DR: 吲哚宾 (CAS 106469-52-7) is a chemical compound with molecular formula C23H34BrN3O3 and molecular weight 479.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚宾
2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide
Also Known As: Pindobind, Pindobind 5-HT1A, Pindobind 5-hydroxytryptamine(1A), PDSP1_001698, PDSP2_001681
| Molecular Formula | C23H34BrN3O3 |
|---|---|
| Molecular Weight | 479.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 479.17834 |
| Heavy Atoms | 30 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 106469-52-7 |
|---|---|
| SMILES | CC1(CCC(CC1)C(C)(C)NCC(COC2=CC=CC3=C2C=CN3)O)NC(=O)CBr |
| InChIKey | XSAGAZCYTLNCEN-UHFFFAOYSA-N |
Product Overview
吲哚宾 (CAS 106469-52-7), with molecular formula C23H34BrN3O3 and molecular weight 479.18 g/mol. IUPAC: 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide.
Chemical Property Profile of 吲哚宾
Property Insights of 吲哚宾
The XLogP value of 3.4 indicates that 吲哚宾 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 吲哚宾. Following Lipinski's Rule of Five, 吲哚宾 has 4 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 吲哚宾?
The CAS number of 吲哚宾 is 106469-52-7.
What is the molecular formula of 吲哚宾?
The molecular formula of 吲哚宾 is C23H34BrN3O3.
What is the molecular weight of 吲哚宾?
The molecular weight of 吲哚宾 is 479.18 g/mol.
Where can I buy 吲哚宾?
You can request a quote for 吲哚宾 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲哚宾?
Yes, KEHONG BIO provides custom synthesis services for 吲哚宾 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.