RefChem:326207
TL;DR: RefChem:326207 (CAS 85462-85-7) is a chemical compound with molecular formula C15H24ClNO4S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid;hydrochloride
Also Known As: Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, hydrochloride, 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid hydrochloride, 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid,hydrochloride, 3-{2-Hydroxy-3-[(propan-2-yl)amino]propoxy}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid--hydrogen chloride (1/1), RefChem:326207
| Molecular Formula | C15H24ClNO4S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 2.4846 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.11145 |
| Heavy Atoms | 22 |
| Complexity | 503.97705 |
Chemical Identifiers
| CAS Number | 85462-85-7 |
|---|---|
| SMILES | CC(C)NCC(COC1=C(SC2=C1CCCC2)C(=O)O)O.Cl |
Product Overview
RefChem:326207 (CAS 85462-85-7), with molecular formula C15H24ClNO4S and molecular weight 349.11 g/mol. IUPAC: 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid;hydrochloride.
Chemical Property Profile of RefChem:326207
Property Insights of RefChem:326207
The XLogP value of 2.4846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326207. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326207. Following Lipinski's Rule of Five, RefChem:326207 has 3 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 RefChem:326207?
The CAS number of RefChem:326207 is 85462-85-7.
What is the molecular formula of RefChem:326207?
The molecular formula of RefChem:326207 is C15H24ClNO4S.
What is the molecular weight of RefChem:326207?
The molecular weight of RefChem:326207 is 349.11 g/mol.
Where can I buy RefChem:326207?
You can request a quote for RefChem:326207 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326207?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326207 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.