3,5-Bis(chloromethyl)-4-methylbenzoic acid
TL;DR: 3,5-Bis(chloromethyl)-4-methylbenzoic acid (CAS 37908-90-0) is a chemical compound with molecular formula C10H10Cl2O2 and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(chloromethyl)-4-methylbenzoic acid
Also Known As: 3,5-bis(chloromethyl)-4-methylbenzoic acid, 3,5-Bis-chloromethyl-4-methyl-benzoic acid, 3,5-BIS-CHLOROMETHYL-4-METHYL-BENZOICACID, IDI1_007786, S-(4-FLUOROPHENYL)MERCAPTURICACID
| Molecular Formula | C10H10Cl2O2 |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | 3.17082 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.00578 |
| Heavy Atoms | 14 |
| Complexity | 336.1348 |
Chemical Identifiers
| CAS Number | 37908-90-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1CCl)C(=O)O)CCl |
Product Overview
3,5-Bis(chloromethyl)-4-methylbenzoic acid (CAS 37908-90-0), with molecular formula C10H10Cl2O2 and molecular weight 232.01 g/mol. IUPAC: 3,5-bis(chloromethyl)-4-methylbenzoic acid.
Chemical Property Profile of 3,5-Bis(chloromethyl)-4-methylbenzoic acid
Property Insights of 3,5-Bis(chloromethyl)-4-methylbenzoic acid
The XLogP value of 3.17082 indicates that 3,5-Bis(chloromethyl)-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Bis(chloromethyl)-4-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(chloromethyl)-4-methylbenzoic acid has 1 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 3,5-Bis(chloromethyl)-4-methylbenzoic acid?
The CAS number of 3,5-Bis(chloromethyl)-4-methylbenzoic acid is 37908-90-0.
What is the molecular formula of 3,5-Bis(chloromethyl)-4-methylbenzoic acid?
The molecular formula of 3,5-Bis(chloromethyl)-4-methylbenzoic acid is C10H10Cl2O2.
What is the molecular weight of 3,5-Bis(chloromethyl)-4-methylbenzoic acid?
The molecular weight of 3,5-Bis(chloromethyl)-4-methylbenzoic acid is 232.01 g/mol.
Where can I buy 3,5-Bis(chloromethyl)-4-methylbenzoic acid?
You can request a quote for 3,5-Bis(chloromethyl)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(chloromethyl)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(chloromethyl)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.