BAS 04848987
TL;DR: BAS 04848987 (CAS 346596-67-6) is a chemical compound with molecular formula C17H22N4O2S and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-5-phenyl-1,2,4-triazole-3-thione
Also Known As: BAS 04848987, A2677/0114073, 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-5-phenyl-1,2,4-triazole-3-thione, 2-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 1-({1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YL}METHYL)-4-METHYL-3-PHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE
| Molecular Formula | C17H22N4O2S |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.14636 |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 346596-67-6 |
|---|---|
| SMILES | CN1C(=NN(C1=S)CN2CCC3(CC2)OCCO3)C4=CC=CC=C4 |
| InChIKey | ZOIYTCKEDVCVNH-UHFFFAOYSA-N |
Product Overview
BAS 04848987 (CAS 346596-67-6), with molecular formula C17H22N4O2S and molecular weight 346.15 g/mol. IUPAC: 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-5-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of BAS 04848987
Property Insights of BAS 04848987
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04848987. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04848987. Following Lipinski's Rule of Five, BAS 04848987 has 0 hydrogen bond donor(s) and 5 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 BAS 04848987?
The CAS number of BAS 04848987 is 346596-67-6.
What is the molecular formula of BAS 04848987?
The molecular formula of BAS 04848987 is C17H22N4O2S.
What is the molecular weight of BAS 04848987?
The molecular weight of BAS 04848987 is 346.15 g/mol.
Where can I buy BAS 04848987?
You can request a quote for BAS 04848987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04848987?
Yes, KEHONG BIO provides custom synthesis services for BAS 04848987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.