6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene
TL;DR: 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene (CAS 14822-91-4) is a chemical compound with molecular formula C10H7ClN4 and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-chloro-5-methyl-1,3,4,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
Also Known As: 3-chloro-6-methyl-[?], 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene, 8-chloro-3-methyl-pyrrolo[1,5-b,2,3-c']dipyridazine, 8-Chloro-3-methylpyrrolo[1,2-b:5,4-c']dipyridazine, Pyrrolo[1,5-b:2,3-c']dipyridazine, 8-chloro-3-methyl-
| Molecular Formula | C10H7ClN4 |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.03592 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 14822-91-4 |
|---|---|
| SMILES | CC1=CC2=C(N=N1)N3C(=C2)C=CC(=N3)Cl |
| InChIKey | PCTZALGUWNRQSJ-UHFFFAOYSA-N |
Product Overview
6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene (CAS 14822-91-4), with molecular formula C10H7ClN4 and molecular weight 218.04 g/mol. IUPAC: 12-chloro-5-methyl-1,3,4,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene.
Chemical Property Profile of 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene
Property Insights of 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene. With a topological polar surface area (TPSA) of 43.1 Ų, 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene 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 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene?
The CAS number of 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene is 14822-91-4.
What is the molecular formula of 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene?
The molecular formula of 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene is C10H7ClN4.
What is the molecular weight of 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene?
The molecular weight of 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene is 218.04 g/mol.
Where can I buy 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene?
You can request a quote for 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-methyl-3,4,4b,5-tetraaza-fluorene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.