Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate
TL;DR: Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate (CAS 302931-53-9) is a chemical compound with molecular formula C14H13N3O3S and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-ylmethyl 4-methylbenzenesulfonate
Also Known As: starbld0040038, benzotriazol-1-ylmethyl 4-methylbenzenesulfonate, 1H-1,2,3-Benzotriazol-1-ylmethyl 4-methylbenzene-1-sulfonate, 1-[(4-methylphenyl)sulfonyloxymethyl]benzotriazole, (1H-1,2,3-benzotriazol-1-yl)methyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C14H13N3O3S |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 2.10272 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.06775 |
| Heavy Atoms | 21 |
| Complexity | 869.8754 |
Chemical Identifiers
| CAS Number | 302931-53-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCN2C3=CC=CC=C3N=N2 |
Product Overview
Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate (CAS 302931-53-9), with molecular formula C14H13N3O3S and molecular weight 303.07 g/mol. IUPAC: benzotriazol-1-ylmethyl 4-methylbenzenesulfonate.
Chemical Property Profile of Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate
Property Insights of Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate
The XLogP value of 2.10272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 5 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 Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate?
The CAS number of Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate is 302931-53-9.
What is the molecular formula of Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate?
The molecular formula of Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate is C14H13N3O3S.
What is the molecular weight of Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate?
The molecular weight of Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate is 303.07 g/mol.
Where can I buy Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate?
You can request a quote for Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-ylmethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.