1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride
TL;DR: 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride (CAS 57860-77-2) is a chemical compound with molecular formula C32H50ClNO4S2 and molecular weight 611.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-(3-methyloctan-2-yl)-5,5-bis(methylsulfanyl)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] 4-piperidin-1-ylbutanoate;hydrochloride
Also Known As: 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride, [8-(3-methyloctan-2-yl)-5,5-bis(methylsulfanyl)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] 4-piperidin-1-ylbutanoate hydrochloride, 8-(3-Methyloctan-2-yl)-5,5-bis(methylsulfanyl)-1,2,3,5-tetrahydropyrano[2,3-c][1]benzopyran-10-yl 4-(piperidin-1-yl)butanoate--hydrogen chloride (1/1), RefChem:234272
| Molecular Formula | C32H50ClNO4S2 |
|---|---|
| Molecular Weight | 611.29 g/mol |
| LogP | 8.8935 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 611.287 |
| Heavy Atoms | 40 |
| Complexity | 1006.87476 |
Chemical Identifiers
| CAS Number | 57860-77-2 |
|---|---|
| SMILES | CCCCCC(C)C(C)C1=CC2=C(C3=C(C(O2)(SC)SC)OCCC3)C(=C1)OC(=O)CCCN4CCCCC4.Cl |
Product Overview
1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride (CAS 57860-77-2), with molecular formula C32H50ClNO4S2 and molecular weight 611.29 g/mol. IUPAC: [8-(3-methyloctan-2-yl)-5,5-bis(methylsulfanyl)-2,3-dihydro-1H-pyrano[2,3-c]chromen-10-yl] 4-piperidin-1-ylbutanoate;hydrochloride.
Chemical Property Profile of 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride
Property Insights of 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride
The XLogP value of 8.8935 indicates that 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride?
The CAS number of 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride is 57860-77-2.
What is the molecular formula of 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride?
The molecular formula of 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride is C32H50ClNO4S2.
What is the molecular weight of 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride?
The molecular weight of 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride is 611.29 g/mol.
Where can I buy 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride?
You can request a quote for 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.