RefChem:297501
TL;DR: RefChem:297501 (CAS 85462-86-8) 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-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid;hydrochloride
Also Known As: 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride, 3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid hydrochloride, 3-[3-(tert-Butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid--hydrogen chloride (1/1), RefChem:297501
| 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 | 6 |
| Exact Mass | 349.11145 |
| Heavy Atoms | 22 |
| Complexity | 524.3475 |
Chemical Identifiers
| CAS Number | 85462-86-8 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=C(SC2=C1CCC2)C(=O)O)O.Cl |
Product Overview
RefChem:297501 (CAS 85462-86-8), with molecular formula C15H24ClNO4S and molecular weight 349.11 g/mol. IUPAC: 3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid;hydrochloride.
Chemical Property Profile of RefChem:297501
Property Insights of RefChem:297501
The XLogP value of 2.4846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:297501. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:297501. Following Lipinski's Rule of Five, RefChem:297501 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:297501?
The CAS number of RefChem:297501 is 85462-86-8.
What is the molecular formula of RefChem:297501?
The molecular formula of RefChem:297501 is C15H24ClNO4S.
What is the molecular weight of RefChem:297501?
The molecular weight of RefChem:297501 is 349.11 g/mol.
Where can I buy RefChem:297501?
You can request a quote for RefChem:297501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297501?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.