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Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine
TL;DR: Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine (CAS 49781-37-5) is a chemical compound with molecular formula C14H9N3S and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-thia-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
Also Known As: dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine, AE-641/30103018, 13-thia-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
| Molecular Formula | C14H9N3S |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 3.3989 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.05171 |
| Heavy Atoms | 18 |
| Complexity | 673.1639 |
Chemical Identifiers
| CAS Number | 49781-37-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NN=CN3C4=CC=CC=C4S2 |
Product Overview
Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine (CAS 49781-37-5), with molecular formula C14H9N3S and molecular weight 251.05 g/mol. IUPAC: 13-thia-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene.
Chemical Property Profile of Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine
Property Insights of Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine
The XLogP value of 3.3989 indicates that Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine has 0 hydrogen bond donor(s) and 3 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 Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine?
The CAS number of Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine is 49781-37-5.
What is the molecular formula of Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine?
The molecular formula of Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine is C14H9N3S.
What is the molecular weight of Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine?
The molecular weight of Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine is 251.05 g/mol.
Where can I buy Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine?
You can request a quote for Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.