starbld0028670
TL;DR: starbld0028670 (CAS 130186-61-7) is a chemical compound with molecular formula C21H31N5S3 and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-ylmethylsulfanyl)-5-dodecylsulfanyl-1,3,4-thiadiazole
Also Known As: starbld0028670, 1-({[5-(dodecylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-1H-1,2,3-benzotriazole, 2-(benzotriazol-1-ylmethylsulfanyl)-5-dodecylsulfanyl-1,3,4-thiadiazole, AE-018/31866020, 2-(((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)thio)-5-(dodecylthio)-1,3,4-thiadiazole
| Molecular Formula | C21H31N5S3 |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 7.0456 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 449.17416 |
| Heavy Atoms | 29 |
| Complexity | 832.45575 |
Chemical Identifiers
| CAS Number | 130186-61-7 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=NN=C(S1)SCN2C3=CC=CC=C3N=N2 |
Product Overview
starbld0028670 (CAS 130186-61-7), with molecular formula C21H31N5S3 and molecular weight 449.17 g/mol. IUPAC: 2-(benzotriazol-1-ylmethylsulfanyl)-5-dodecylsulfanyl-1,3,4-thiadiazole.
Chemical Property Profile of starbld0028670
Property Insights of starbld0028670
The XLogP value of 7.0456 indicates that starbld0028670 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, starbld0028670 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, starbld0028670 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of starbld0028670?
The CAS number of starbld0028670 is 130186-61-7.
What is the molecular formula of starbld0028670?
The molecular formula of starbld0028670 is C21H31N5S3.
What is the molecular weight of starbld0028670?
The molecular weight of starbld0028670 is 449.17 g/mol.
Where can I buy starbld0028670?
You can request a quote for starbld0028670 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0028670?
Yes, KEHONG BIO provides custom synthesis services for starbld0028670 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.