溴氯苯甲酸
TL;DR: 溴氯苯甲酸 (CAS 25638-14-6) is a chemical compound with molecular formula C42H24Br6Cl6O12 and molecular weight 1403.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴氯苯甲酸
2-bromo-3-chlorobenzoic acid;2-bromo-4-chlorobenzoic acid;2-bromo-6-chlorobenzoic acid;3-bromo-2-chlorobenzoic acid;3-bromo-5-chlorobenzoic acid;5-bromo-2-chlorobenzoic acid
Also Known As: Benzoic acid, bromochloro-, BROMOCHLOROBENZOIC ACID, Benzoic acid,bromochloro- (8CI,9CI), 2-bromo-3-chlorobenzoic acid; 2-bromo-4-chlorobenzoic acid; 2-bromo-6-chlorobenzoic acid; 3-bromo-2-chlorobenzoic acid; 3-bromo-5-chlorobenzoic acid; 5-bromo-2-chlorobenzoic acid, 2-bromo-3-chlorobenzoic acid;2-bromo-4-chlorobenzoic acid;2-bromo-6-chlorobenzoic acid;3-bromo-2-chlorobenzoic acid;3-bromo-5-chlorobenzoic acid;5-bromo-2-chlorobenzoic acid
| Molecular Formula | C42H24Br6Cl6O12 |
|---|---|
| Molecular Weight | 1403.45 g/mol |
| LogP | 16.8 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 1411.4408 |
| Heavy Atoms | 66 |
| Complexity | 975.0 |
Chemical Identifiers
| CAS Number | 25638-14-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Br)C(=O)O.C1=CC(=C(C(=C1)Br)Cl)C(=O)O.C1=CC(=C(C(=C1)Br)C(=O)O)Cl.C1=CC(=C(C=C1Cl)Br)C(=O)O.C1=CC(=C(C=C1Br)C(=O)O)Cl.C1=C(C=C(C=C1Cl)Br)C(=O)O |
| InChIKey | GNTVCIOKMMQVPL-UHFFFAOYSA-N |
Product Overview
溴氯苯甲酸 (CAS 25638-14-6), with molecular formula C42H24Br6Cl6O12 and molecular weight 1403.45 g/mol. IUPAC: 2-bromo-3-chlorobenzoic acid;2-bromo-4-chlorobenzoic acid;2-bromo-6-chlorobenzoic acid;3-bromo-2-chlorobenzoic acid;3-bromo-5-chlorobenzoic acid;5-bromo-2-chlorobenzoic acid.
Chemical Property Profile of 溴氯苯甲酸
Property Insights of 溴氯苯甲酸
The XLogP value of 16.8 indicates that 溴氯苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 224.0 Ų indicates high polarity, suggesting 溴氯苯甲酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 溴氯苯甲酸 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 溴氯苯甲酸?
The CAS number of 溴氯苯甲酸 is 25638-14-6.
What is the molecular formula of 溴氯苯甲酸?
The molecular formula of 溴氯苯甲酸 is C42H24Br6Cl6O12.
What is the molecular weight of 溴氯苯甲酸?
The molecular weight of 溴氯苯甲酸 is 1403.45 g/mol.
Where can I buy 溴氯苯甲酸?
You can request a quote for 溴氯苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴氯苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 溴氯苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.