3-氨基-4-氯苯甲醛
TL;DR: 3-氨基-4-氯苯甲醛 (CAS 77740-83-1) is a chemical compound with molecular formula C7H6ClNO and molecular weight 155.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-4-氯苯甲醛
3-amino-4-chlorobenzaldehyde
Also Known As: 3-amino-4-chlorobenzaldehyde, 3-amino-4-chloro-benzaldehyde, Benzaldehyde, 3-amino-4-chloro-, J1.818.215G, RefChem:1067311
| Molecular Formula | C7H6ClNO |
|---|---|
| Molecular Weight | 155.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.0138 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 77740-83-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)N)Cl |
| InChIKey | KLIDNCHOWGDFKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基-4-氯苯甲醛 (CAS 77740-83-1), with molecular formula C7H6ClNO and molecular weight 155.01 g/mol. IUPAC: 3-amino-4-chlorobenzaldehyde.
Chemical Property Profile of 3-氨基-4-氯苯甲醛
Property Insights of 3-氨基-4-氯苯甲醛
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基-4-氯苯甲醛. With a topological polar surface area (TPSA) of 43.1 Ų, 3-氨基-4-氯苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氨基-4-氯苯甲醛 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 3-氨基-4-氯苯甲醛?
The CAS number of 3-氨基-4-氯苯甲醛 is 77740-83-1.
What is the molecular formula of 3-氨基-4-氯苯甲醛?
The molecular formula of 3-氨基-4-氯苯甲醛 is C7H6ClNO.
What is the molecular weight of 3-氨基-4-氯苯甲醛?
The molecular weight of 3-氨基-4-氯苯甲醛 is 155.01 g/mol.
Where can I buy 3-氨基-4-氯苯甲醛?
You can request a quote for 3-氨基-4-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-氨基-4-氯苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-4-氯苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.