4-叔丁基-6-氯哒嗪-3-甲腈
TL;DR: 4-叔丁基-6-氯哒嗪-3-甲腈 (CAS 124420-72-0) is a chemical compound with molecular formula C9H10ClN3 and molecular weight 195.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-叔丁基-6-氯哒嗪-3-甲腈
4-tert-butyl-6-chloropyridazine-3-carbonitrile
Also Known As: 4-tert-butyl-6-chloropyridazine-3-carbonitrile, 3-Pyridazinecarbonitrile, 6-chloro-4-(1,1-dimethylethyl)-, 6-chloro-4-tert-butyl-pyridazine-3-carbonitrile
| Molecular Formula | C9H10ClN3 |
|---|---|
| Molecular Weight | 195.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.05632 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 124420-72-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NN=C1C#N)Cl |
| InChIKey | KJJFPGRULVCAEK-UHFFFAOYSA-N |
Product Overview
4-叔丁基-6-氯哒嗪-3-甲腈 (CAS 124420-72-0), with molecular formula C9H10ClN3 and molecular weight 195.06 g/mol. IUPAC: 4-tert-butyl-6-chloropyridazine-3-carbonitrile.
Chemical Property Profile of 4-叔丁基-6-氯哒嗪-3-甲腈
Property Insights of 4-叔丁基-6-氯哒嗪-3-甲腈
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-叔丁基-6-氯哒嗪-3-甲腈. With a topological polar surface area (TPSA) of 49.6 Ų, 4-叔丁基-6-氯哒嗪-3-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-叔丁基-6-氯哒嗪-3-甲腈 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 4-叔丁基-6-氯哒嗪-3-甲腈?
The CAS number of 4-叔丁基-6-氯哒嗪-3-甲腈 is 124420-72-0.
What is the molecular formula of 4-叔丁基-6-氯哒嗪-3-甲腈?
The molecular formula of 4-叔丁基-6-氯哒嗪-3-甲腈 is C9H10ClN3.
What is the molecular weight of 4-叔丁基-6-氯哒嗪-3-甲腈?
The molecular weight of 4-叔丁基-6-氯哒嗪-3-甲腈 is 195.06 g/mol.
Where can I buy 4-叔丁基-6-氯哒嗪-3-甲腈?
You can request a quote for 4-叔丁基-6-氯哒嗪-3-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-叔丁基-6-氯哒嗪-3-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-叔丁基-6-氯哒嗪-3-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.