2,3-Dichlorothiophene
TL;DR: 2,3-Dichlorothiophene (CAS 5336-91-4) is a chemical compound with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;hydrochloride
Also Known As: 2,3-Dichlorothiophene, 2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid hydrochloride, 2721AE, 5H-Pyrido(4,3-b)indole-8-carboxylic acid, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride, 2-Methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]-indole-8-carboxylic acid hydrochloride
| Molecular Formula | C13H15ClN2O2 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 2.2758 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.0822 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 5336-91-4 |
|---|---|
| SMILES | CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)O.Cl |
| InChIKey | ULUFFFPURQWXJJ-UHFFFAOYSA-N |
Product Overview
2,3-Dichlorothiophene (CAS 5336-91-4), with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol. IUPAC: 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;hydrochloride.
Chemical Property Profile of 2,3-Dichlorothiophene
Property Insights of 2,3-Dichlorothiophene
The XLogP value of 2.2758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichlorothiophene. With a topological polar surface area (TPSA) of 56.3 Ų, 2,3-Dichlorothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichlorothiophene has 3 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 2,3-Dichlorothiophene?
The CAS number of 2,3-Dichlorothiophene is 5336-91-4.
What is the molecular formula of 2,3-Dichlorothiophene?
The molecular formula of 2,3-Dichlorothiophene is C13H15ClN2O2.
What is the molecular weight of 2,3-Dichlorothiophene?
The molecular weight of 2,3-Dichlorothiophene is 266.08 g/mol.
Where can I buy 2,3-Dichlorothiophene?
You can request a quote for 2,3-Dichlorothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dichlorothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichlorothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.