丁烯沙林
TL;DR: 丁烯沙林 (CAS 138780-00-4) is a chemical compound with molecular formula CC=CCOP(=O)(C)F and molecular weight 152.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁烯沙林
1-[fluoro(methyl)phosphoryl]oxybut-2-ene
Also Known As: Crotylsarin, 2-butenyl methylphosphonofluoridate, 1-[fluoro(methyl)phosphoryl]oxybut-2-ene, Phosphonofluoridic acid, P-methyl-, (2E)-2-buten-1-yl ester
| Molecular Formula | CC=CCOP(=O)(C)F |
|---|---|
| Molecular Weight | 152.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.04024 |
| Heavy Atoms | 9 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 138780-00-4 |
|---|---|
| SMILES | CC=CCOP(=O)(C)F |
| InChIKey | CSVWTPQEXJLYLO-UHFFFAOYSA-N |
Product Overview
丁烯沙林 (CAS 138780-00-4), with molecular formula CC=CCOP(=O)(C)F and molecular weight 152.04 g/mol. IUPAC: 1-[fluoro(methyl)phosphoryl]oxybut-2-ene.
Chemical Property Profile of 丁烯沙林
Property Insights of 丁烯沙林
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁烯沙林. With a topological polar surface area (TPSA) of 26.3 Ų, 丁烯沙林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁烯沙林 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 丁烯沙林?
The CAS number of 丁烯沙林 is 138780-00-4.
What is the molecular formula of 丁烯沙林?
The molecular formula of 丁烯沙林 is CC=CCOP(=O)(C)F.
What is the molecular weight of 丁烯沙林?
The molecular weight of 丁烯沙林 is 152.04 g/mol.
Where can I buy 丁烯沙林?
You can request a quote for 丁烯沙林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁烯沙林?
Yes, KEHONG BIO provides custom synthesis services for 丁烯沙林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.