吲地司琼
TL;DR: 吲地司琼 (CAS 141549-75-9) is a chemical compound with molecular formula C17H23N5O and molecular weight 313.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲地司琼
N-[(1R,5S)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
Also Known As: Indisetron, Sinseron, Indisetron [INN], indisetron HCl, Indisetron hydrochloride
| Molecular Formula | C17H23N5O |
|---|---|
| Molecular Weight | 313.19 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.19025 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 141549-75-9 |
|---|---|
| SMILES | CN1C[C@H]2CC(C[C@@H](C1)N2C)NC(=O)C3=NNC4=CC=CC=C43 |
| InChIKey | MHNNVDILNTUWNS-YHWZYXNKSA-N |
Product Overview
吲地司琼 (CAS 141549-75-9), with molecular formula C17H23N5O and molecular weight 313.19 g/mol. IUPAC: N-[(1R,5S)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide.
Chemical Property Profile of 吲地司琼
Property Insights of 吲地司琼
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲地司琼. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 吲地司琼. Following Lipinski's Rule of Five, 吲地司琼 has 2 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 吲地司琼?
The CAS number of 吲地司琼 is 141549-75-9.
What is the molecular formula of 吲地司琼?
The molecular formula of 吲地司琼 is C17H23N5O.
What is the molecular weight of 吲地司琼?
The molecular weight of 吲地司琼 is 313.19 g/mol.
Where can I buy 吲地司琼?
You can request a quote for 吲地司琼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲地司琼?
Yes, KEHONG BIO provides custom synthesis services for 吲地司琼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.