Aglhlbkqmjdzfp-uhfffaoysa-
TL;DR: Aglhlbkqmjdzfp-uhfffaoysa- (CAS 81940-14-9) is a chemical compound with molecular formula C12H6BrN5 and molecular weight 298.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-11,12,14,16,17-pentazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
Also Known As: bromo[?], AGLHLBKQMJDZFP-UHFFFAOYSA-, 8-bromonaphtho-s-triazolo-as-triazine, 8-Bromonaphtho[2,1-e][1,2,4]triazolo[5,1-c][1,2,4]triazine, InChI=1/C12H6BrN5/c13-8-2-3-9-7(5-8)1-4-10-11(9)16-17-12-14-6-15-18(10)12/h1-6H
| Molecular Formula | C12H6BrN5 |
|---|---|
| Molecular Weight | 298.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.98065 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 81940-14-9 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2N=NC4=NC=NN34)C=C1Br |
| InChIKey | AGLHLBKQMJDZFP-UHFFFAOYSA-N |
Product Overview
Aglhlbkqmjdzfp-uhfffaoysa- (CAS 81940-14-9), with molecular formula C12H6BrN5 and molecular weight 298.98 g/mol. IUPAC: 5-bromo-11,12,14,16,17-pentazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene.
Chemical Property Profile of Aglhlbkqmjdzfp-uhfffaoysa-
Property Insights of Aglhlbkqmjdzfp-uhfffaoysa-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aglhlbkqmjdzfp-uhfffaoysa-. With a topological polar surface area (TPSA) of 56.0 Ų, Aglhlbkqmjdzfp-uhfffaoysa- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aglhlbkqmjdzfp-uhfffaoysa- 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 Aglhlbkqmjdzfp-uhfffaoysa-?
The CAS number of Aglhlbkqmjdzfp-uhfffaoysa- is 81940-14-9.
What is the molecular formula of Aglhlbkqmjdzfp-uhfffaoysa-?
The molecular formula of Aglhlbkqmjdzfp-uhfffaoysa- is C12H6BrN5.
What is the molecular weight of Aglhlbkqmjdzfp-uhfffaoysa-?
The molecular weight of Aglhlbkqmjdzfp-uhfffaoysa- is 298.98 g/mol.
Where can I buy Aglhlbkqmjdzfp-uhfffaoysa-?
You can request a quote for Aglhlbkqmjdzfp-uhfffaoysa- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aglhlbkqmjdzfp-uhfffaoysa-?
Yes, KEHONG BIO provides custom synthesis services for Aglhlbkqmjdzfp-uhfffaoysa- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.