![4-[(2S)-2-甲基丁基]苯甲酰氯 structure](/static/products/6279/62796-32-1.webp)
4-[(2S)-2-甲基丁基]苯甲酰氯
TL;DR: 4-[(2S)-2-甲基丁基]苯甲酰氯 (CAS 62796-32-1) is a chemical compound with molecular formula C12H15ClO and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S)-2-甲基丁基]苯甲酰氯
4-[(2S)-2-methylbutyl]benzoyl chloride
Also Known As: 4-[(2s)-2-methylbutyl]benzoylchloride, Benzoyl chloride, 4-[(2S)-2-methylbutyl]-, 4-[(2S)-2-methylbutyl]benzoyl chloride, Benzoyl chloride, 4-((2S)-2-methylbutyl)-, (+)-p-(2-Methylbutyl)benzoyl chloride, 98%
| Molecular Formula | C12H15ClO |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.08115 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 62796-32-1 |
|---|---|
| SMILES | CC[C@H](C)CC1=CC=C(C=C1)C(=O)Cl |
| InChIKey | JTFWIFQALWOEGT-VIFPVBQESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(2S)-2-甲基丁基]苯甲酰氯 (CAS 62796-32-1), with molecular formula C12H15ClO and molecular weight 210.08 g/mol. IUPAC: 4-[(2S)-2-methylbutyl]benzoyl chloride.
Chemical Property Profile of 4-[(2S)-2-甲基丁基]苯甲酰氯
Property Insights of 4-[(2S)-2-甲基丁基]苯甲酰氯
The XLogP value of 4.6 indicates that 4-[(2S)-2-甲基丁基]苯甲酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-[(2S)-2-甲基丁基]苯甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2S)-2-甲基丁基]苯甲酰氯 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 4-[(2S)-2-甲基丁基]苯甲酰氯?
The CAS number of 4-[(2S)-2-甲基丁基]苯甲酰氯 is 62796-32-1.
What is the molecular formula of 4-[(2S)-2-甲基丁基]苯甲酰氯?
The molecular formula of 4-[(2S)-2-甲基丁基]苯甲酰氯 is C12H15ClO.
What is the molecular weight of 4-[(2S)-2-甲基丁基]苯甲酰氯?
The molecular weight of 4-[(2S)-2-甲基丁基]苯甲酰氯 is 210.08 g/mol.
Where can I buy 4-[(2S)-2-甲基丁基]苯甲酰氯?
You can request a quote for 4-[(2S)-2-甲基丁基]苯甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2S)-2-甲基丁基]苯甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2S)-2-甲基丁基]苯甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.