5-(氯磺酰基)间苯二甲酸
TL;DR: 5-(氯磺酰基)间苯二甲酸 (CAS 134178-04-4) is a chemical compound with molecular formula C8H5ClO6S and molecular weight 263.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(氯磺酰基)间苯二甲酸
5-chlorosulfonylbenzene-1,3-dicarboxylic acid
Also Known As: 5-(chlorosulfonyl)benzene-1,3-dicarboxylic acid, 1,3-Benzenedicarboxylicacid, 5-(chlorosulfonyl)-, 1,3-Benzenedicarboxylic acid, 5-(chlorosulfonyl)-, 5-chlorosulfonylbenzene-1,3-dicarboxylic Acid, 5-(chlorosulfonyl)isophthalic acid
| Molecular Formula | C8H5ClO6S |
|---|---|
| Molecular Weight | 263.95 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.94952 |
| Heavy Atoms | 16 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 134178-04-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)O)S(=O)(=O)Cl)C(=O)O |
| InChIKey | HPZPALJUGOSUMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(氯磺酰基)间苯二甲酸 (CAS 134178-04-4), with molecular formula C8H5ClO6S and molecular weight 263.95 g/mol. IUPAC: 5-chlorosulfonylbenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(氯磺酰基)间苯二甲酸
Property Insights of 5-(氯磺酰基)间苯二甲酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(氯磺酰基)间苯二甲酸. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(氯磺酰基)间苯二甲酸. Following Lipinski's Rule of Five, 5-(氯磺酰基)间苯二甲酸 has 2 hydrogen bond donor(s) and 6 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 5-(氯磺酰基)间苯二甲酸?
The CAS number of 5-(氯磺酰基)间苯二甲酸 is 134178-04-4.
What is the molecular formula of 5-(氯磺酰基)间苯二甲酸?
The molecular formula of 5-(氯磺酰基)间苯二甲酸 is C8H5ClO6S.
What is the molecular weight of 5-(氯磺酰基)间苯二甲酸?
The molecular weight of 5-(氯磺酰基)间苯二甲酸 is 263.95 g/mol.
Where can I buy 5-(氯磺酰基)间苯二甲酸?
You can request a quote for 5-(氯磺酰基)间苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(氯磺酰基)间苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-(氯磺酰基)间苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.