α,α-二溴-4-二甲苯磺酸
TL;DR: α,α-二溴-4-二甲苯磺酸 (CAS 1204-10-0) is a chemical compound with molecular formula C8H8Br2O3S and molecular weight 341.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α,α-二溴-4-二甲苯磺酸
2,5-bis(bromomethyl)benzenesulfonic acid
Also Known As: 2,5-bis(bromomethyl)benzenesulfonic acid, alpha,alpha-Dibromo-4-xylenesulfonic acid, Benzenesulfonic acid, 2,5-bis(bromomethyl)-, 2, .alpha.2,.alpha.5-dibromo-, alpha,alpha'-Dibromo-p-xylenesulfonic acid
| Molecular Formula | C8H8Br2O3S |
|---|---|
| Molecular Weight | 341.86 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.85403 |
| Heavy Atoms | 14 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 1204-10-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1CBr)S(=O)(=O)O)CBr |
| InChIKey | YAQBDPUSNJBCNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α,α-二溴-4-二甲苯磺酸 (CAS 1204-10-0), with molecular formula C8H8Br2O3S and molecular weight 341.86 g/mol. IUPAC: 2,5-bis(bromomethyl)benzenesulfonic acid.
Chemical Property Profile of α,α-二溴-4-二甲苯磺酸
Property Insights of α,α-二溴-4-二甲苯磺酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α,α-二溴-4-二甲苯磺酸. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for α,α-二溴-4-二甲苯磺酸. Following Lipinski's Rule of Five, α,α-二溴-4-二甲苯磺酸 has 1 hydrogen bond donor(s) and 3 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 α,α-二溴-4-二甲苯磺酸?
The CAS number of α,α-二溴-4-二甲苯磺酸 is 1204-10-0.
What is the molecular formula of α,α-二溴-4-二甲苯磺酸?
The molecular formula of α,α-二溴-4-二甲苯磺酸 is C8H8Br2O3S.
What is the molecular weight of α,α-二溴-4-二甲苯磺酸?
The molecular weight of α,α-二溴-4-二甲苯磺酸 is 341.86 g/mol.
Where can I buy α,α-二溴-4-二甲苯磺酸?
You can request a quote for α,α-二溴-4-二甲苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α,α-二溴-4-二甲苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for α,α-二溴-4-二甲苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.