RefChem:234271
TL;DR: RefChem:234271 (CAS 50708-91-3) is a chemical compound with molecular formula C31H48ClNO3S and molecular weight 549.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,4-dimethyl-7-(3-methyloctan-2-yl)-1,2-dihydrothieno[2,3-c]chromen-9-yl] 4-piperidin-1-ylbutanoate;hydrochloride
Also Known As: 1-Piperidinebutanoic acid, 7-(1,2-dimethylheptyl)-1,4-dihydro-4,4-dimethyl-2H-thieno(2,3-c)(1)benzopyran-9-yl ester, hydrochloride, [4,4-dimethyl-7-(3-methyloctan-2-yl)-1,2-dihydrothieno[2,3-c]chromen-9-yl] 4-piperidin-1-ylbutanoate hydrochloride, 4,4-Dimethyl-7-(3-methyloctan-2-yl)-1,4-dihydro-2H-thieno[2,3-c][1]benzopyran-9-yl 4-(piperidin-1-yl)butanoate--hydrogen chloride (1/1), RefChem:234271
| Molecular Formula | C31H48ClNO3S |
|---|---|
| Molecular Weight | 549.30 g/mol |
| LogP | 8.6188 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 549.3043 |
| Heavy Atoms | 37 |
| Complexity | 954.01666 |
Chemical Identifiers
| CAS Number | 50708-91-3 |
|---|---|
| SMILES | CCCCCC(C)C(C)C1=CC2=C(C3=C(C(O2)(C)C)SCC3)C(=C1)OC(=O)CCCN4CCCCC4.Cl |
Product Overview
RefChem:234271 (CAS 50708-91-3), with molecular formula C31H48ClNO3S and molecular weight 549.30 g/mol. IUPAC: [4,4-dimethyl-7-(3-methyloctan-2-yl)-1,2-dihydrothieno[2,3-c]chromen-9-yl] 4-piperidin-1-ylbutanoate;hydrochloride.
Chemical Property Profile of RefChem:234271
Property Insights of RefChem:234271
The XLogP value of 8.6188 indicates that RefChem:234271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, RefChem:234271 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:234271 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:234271?
The CAS number of RefChem:234271 is 50708-91-3.
What is the molecular formula of RefChem:234271?
The molecular formula of RefChem:234271 is C31H48ClNO3S.
What is the molecular weight of RefChem:234271?
The molecular weight of RefChem:234271 is 549.30 g/mol.
Where can I buy RefChem:234271?
You can request a quote for RefChem:234271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:234271?
Yes, KEHONG BIO provides custom synthesis services for RefChem:234271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.