C13H19BrClN5O2S
TL;DR: C13H19BrClN5O2S (CAS 1049724-04-0) is a chemical compound with molecular formula C13H19BrClN5O2S and molecular weight 423.01315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
Also Known As: N-(3-bromo-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride, N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride
Technical Specifications
| Molecular Formula | C13H19BrClN5O2S |
| Molecular Weight | 423.01315 g/mol |
| XLogP | 2.2935 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.01315 Da |
| Heavy Atoms | 23 |
| Complexity | 331.0 |
| SMILES | CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)Br)OC)OC.Cl |
| InChIKey | SCRRPYWJJQWNKJ-UHFFFAOYSA-N |
Chemical Property Profile of C13H19BrClN5O2S
Property Insights of C13H19BrClN5O2S
The XLogP value of 2.2935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H19BrClN5O2S. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H19BrClN5O2S. Following Lipinski's Rule of Five, C13H19BrClN5O2S has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C13H19BrClN5O2S?
The CAS number of C13H19BrClN5O2S is 1049724-04-0.
What is the molecular formula of C13H19BrClN5O2S?
The molecular formula of C13H19BrClN5O2S is C13H19BrClN5O2S.
What is the molecular weight of C13H19BrClN5O2S?
The molecular weight of C13H19BrClN5O2S is 423.01315 g/mol.
Where can I buy C13H19BrClN5O2S?
You can request a quote for C13H19BrClN5O2S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C13H19BrClN5O2S?
Yes, CoreyChem provides custom synthesis services for C13H19BrClN5O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.