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双环[3.1.0]己烷-3-甲酸
TL;DR: 双环[3.1.0]己烷-3-甲酸 (CAS 134149-47-6) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双环[3.1.0]己烷-3-甲酸
bicyclo[3.1.0]hexane-3-carboxylic acid
Also Known As: bicyclo[3.1.0]hexane-3-carboxylic acid, Bicyclo[3.1.0]hexane-3-carboxylicacid, bicyclo(3.1.0)hexane-3-carboxylic acid, Bicyclo<3.1.0>hex-2-en-6-endo-carbonsaeure, Rel-(1R,3r,5S)-bicyclo[3.1.0]hexane-3-carboxylic acid
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 134149-47-6 |
|---|---|
| SMILES | C1C2C1CC(C2)C(=O)O |
| InChIKey | IEEUSWYDXDXBNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双环[3.1.0]己烷-3-甲酸 (CAS 134149-47-6), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: bicyclo[3.1.0]hexane-3-carboxylic acid.
Chemical Property Profile of 双环[3.1.0]己烷-3-甲酸
Property Insights of 双环[3.1.0]己烷-3-甲酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双环[3.1.0]己烷-3-甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 双环[3.1.0]己烷-3-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双环[3.1.0]己烷-3-甲酸 has 1 hydrogen bond donor(s) and 2 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 双环[3.1.0]己烷-3-甲酸?
The CAS number of 双环[3.1.0]己烷-3-甲酸 is 134149-47-6.
What is the molecular formula of 双环[3.1.0]己烷-3-甲酸?
The molecular formula of 双环[3.1.0]己烷-3-甲酸 is C7H10O2.
What is the molecular weight of 双环[3.1.0]己烷-3-甲酸?
The molecular weight of 双环[3.1.0]己烷-3-甲酸 is 126.07 g/mol.
Where can I buy 双环[3.1.0]己烷-3-甲酸?
You can request a quote for 双环[3.1.0]己烷-3-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双环[3.1.0]己烷-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 双环[3.1.0]己烷-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.