BAS 10124322
TL;DR: BAS 10124322 (CAS 876712-69-5) is a chemical compound with molecular formula C18H15N7OS and molecular weight 377.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-ylmethyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 10124322, 1-{[6-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole, 3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-6-(4-methoxybenzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(benzotriazol-1-ylmethyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C18H15N7OS |
|---|---|
| Molecular Weight | 377.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.10587 |
| Heavy Atoms | 27 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 876712-69-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4 |
| InChIKey | NJEQJUNOWLUBFR-UHFFFAOYSA-N |
Product Overview
BAS 10124322 (CAS 876712-69-5), with molecular formula C18H15N7OS and molecular weight 377.11 g/mol. IUPAC: 3-(benzotriazol-1-ylmethyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 10124322
Property Insights of BAS 10124322
The XLogP value of 3.0 indicates that BAS 10124322 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10124322. Following Lipinski's Rule of Five, BAS 10124322 has 0 hydrogen bond donor(s) and 7 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 10124322?
The CAS number of BAS 10124322 is 876712-69-5.
What is the molecular formula of BAS 10124322?
The molecular formula of BAS 10124322 is C18H15N7OS.
What is the molecular weight of BAS 10124322?
The molecular weight of BAS 10124322 is 377.11 g/mol.
Where can I buy BAS 10124322?
You can request a quote for BAS 10124322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10124322?
Yes, KEHONG BIO provides custom synthesis services for BAS 10124322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.