3-氯苯甲醛
TL;DR: 3-氯苯甲醛 (CAS 587-04-2) is a chemical compound with molecular formula C7H5ClO and molecular weight 140.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯苯甲醛
3-chlorobenzaldehyde
Also Known As: 3-CHLOROBENZALDEHYDE, m-Chlorobenzaldehyde, Benzaldehyde, 3-chloro-, mcad, meta-Chlorobenzaldehyde
| Molecular Formula | C7H5ClO |
|---|---|
| Molecular Weight | 140.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.0029 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 587-04-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C=O |
| InChIKey | SRWILAKSARHZPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯苯甲醛 (CAS 587-04-2), with molecular formula C7H5ClO and molecular weight 140.00 g/mol. IUPAC: 3-chlorobenzaldehyde.
Chemical Property Profile of 3-氯苯甲醛
Property Insights of 3-氯苯甲醛
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯苯甲醛. With a topological polar surface area (TPSA) of 17.1 Ų, 3-氯苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯苯甲醛 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 3-氯苯甲醛?
The CAS number of 3-氯苯甲醛 is 587-04-2.
What is the molecular formula of 3-氯苯甲醛?
The molecular formula of 3-氯苯甲醛 is C7H5ClO.
What is the molecular weight of 3-氯苯甲醛?
The molecular weight of 3-氯苯甲醛 is 140.00 g/mol.
Where can I buy 3-氯苯甲醛?
You can request a quote for 3-氯苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 3-氯苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.