1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.
TL;DR: 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv. (CAS 115116-41-1) is a chemical compound with molecular formula C28H46ClNO7 and molecular weight 543.29626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-piperidin-1-ylpropanoate;hydrochloride
Also Known As: C28H45NO7.ClH.3/2H2O, 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv., C28-H45-N-O7.Cl-H.3/2H2-O, 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv. (9CI), 1-Piperidinepropanoic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-5,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-6-yl ester, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-, hydrochloride, hydrate (2:2:3)
Technical Specifications
| Molecular Formula | C28H46ClNO7 |
| Molecular Weight | 543.29626 g/mol |
| XLogP | 2.7978 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.29626 Da |
| Heavy Atoms | 37 |
| Complexity | 900.0 |
| SMILES | C[C@@]1(CC(=O)[C@]2([C@@]3([C@@H](CCC([C@H]3[C@H]([C@H]([C@@]2(O1)C)O)OC(=O)CCN4CCCCC4)(C)C)O)C)O)C=C.Cl |
| InChIKey | UEZQAUSANWRYHE-AIBXSHGGSA-N |
Chemical Property Profile of 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.
Property Insights of 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.
The XLogP value of 2.7978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.. Following Lipinski's Rule of Five, 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv. has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.?
The CAS number of 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv. is 115116-41-1.
What is the molecular formula of 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.?
The molecular formula of 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv. is C28H46ClNO7.
What is the molecular weight of 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.?
The molecular weight of 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv. is 543.29626 g/mol.
Where can I buy 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.?
You can request a quote for 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv.?
Yes, CoreyChem provides custom synthesis services for 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.