ChemDiv1_009971
TL;DR: ChemDiv1_009971 (CAS 314039-41-3) is a chemical compound with molecular formula C17H18N4OS and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
Also Known As: ChemDiv1_009971, BAS 01095190, VU0032377-1, 9-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-2,3,4,9-tetrahydro-1H-carbazole, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
| Molecular Formula | C17H18N4OS |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.12012 |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 314039-41-3 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)N2C3=C(CCCC3)C4=CC=CC=C42 |
| InChIKey | POAGHKZQXKQJAC-UHFFFAOYSA-N |
Product Overview
ChemDiv1_009971 (CAS 314039-41-3), with molecular formula C17H18N4OS and molecular weight 326.12 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.
Chemical Property Profile of ChemDiv1_009971
Property Insights of ChemDiv1_009971
The XLogP value of 3.2 indicates that ChemDiv1_009971 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009971. Following Lipinski's Rule of Five, ChemDiv1_009971 has 0 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 ChemDiv1_009971?
The CAS number of ChemDiv1_009971 is 314039-41-3.
What is the molecular formula of ChemDiv1_009971?
The molecular formula of ChemDiv1_009971 is C17H18N4OS.
What is the molecular weight of ChemDiv1_009971?
The molecular weight of ChemDiv1_009971 is 326.12 g/mol.
Where can I buy ChemDiv1_009971?
You can request a quote for ChemDiv1_009971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009971?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.