trans-2-Phenyl-1-cyclopropanecarbonyl chloride
TL;DR: trans-2-Phenyl-1-cyclopropanecarbonyl chloride (CAS 939-87-7) is a chemical compound with molecular formula C10H9ClO and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride
Also Known As: null, trans-2-Phenylcyclopropanecarbonyl chloride, trans-2-Phenyl-1-cyclopropanecarbonyl chloride, (1R,2R)-2-phenylcyclopropane-1-carbonyl chloride, 3-Bromo-benzenesulfonic acid
| Molecular Formula | C10H9ClO |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0342 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 939-87-7 |
|---|---|
| SMILES | C1[C@H]([C@@H]1C(=O)Cl)C2=CC=CC=C2 |
| InChIKey | SODZBMGDYKEZJG-DTWKUNHWSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-2-Phenyl-1-cyclopropanecarbonyl chloride (CAS 939-87-7), with molecular formula C10H9ClO and molecular weight 180.03 g/mol. IUPAC: trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride.
Chemical Property Profile of trans-2-Phenyl-1-cyclopropanecarbonyl chloride
Property Insights of trans-2-Phenyl-1-cyclopropanecarbonyl chloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-Phenyl-1-cyclopropanecarbonyl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, trans-2-Phenyl-1-cyclopropanecarbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-Phenyl-1-cyclopropanecarbonyl chloride has 0 hydrogen bond donor(s) and 1 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 trans-2-Phenyl-1-cyclopropanecarbonyl chloride?
The CAS number of trans-2-Phenyl-1-cyclopropanecarbonyl chloride is 939-87-7.
What is the molecular formula of trans-2-Phenyl-1-cyclopropanecarbonyl chloride?
The molecular formula of trans-2-Phenyl-1-cyclopropanecarbonyl chloride is C10H9ClO.
What is the molecular weight of trans-2-Phenyl-1-cyclopropanecarbonyl chloride?
The molecular weight of trans-2-Phenyl-1-cyclopropanecarbonyl chloride is 180.03 g/mol.
Where can I buy trans-2-Phenyl-1-cyclopropanecarbonyl chloride?
You can request a quote for trans-2-Phenyl-1-cyclopropanecarbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-Phenyl-1-cyclopropanecarbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for trans-2-Phenyl-1-cyclopropanecarbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.