1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv.
TL;DR: 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv. (CAS 115076-95-4) is a chemical compound with molecular formula C29H50Cl2N2O7 and molecular weight 608.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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] 4-(4-methylpiperazin-1-yl)butanoate;dihydrochloride
Also Known As: 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv., 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv. (9CI), 1-Piperazinebutanoic acid, 4-methyl-, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-5,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-6-yl ester, dihydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-, (3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-Ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-6-yl 4-(4-methylpiperazin-1-yl)butanoate--hydrogen chloride (1/2), [(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] 4-(4-methylpiperazin-1-yl)butanoate dihydrochloride
| Molecular Formula | C29H50Cl2N2O7 |
|---|---|
| Molecular Weight | 608.30 g/mol |
| LogP | 2.3712 |
| Topological Polar Surface Area | 119.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 608.2995 |
| Heavy Atoms | 40 |
| Complexity | 960.667 |
Chemical Identifiers
| CAS Number | 115076-95-4 |
|---|---|
| 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)CCCN4CCN(CC4)C)(C)C)O)C)O)C=C.Cl.Cl |
Product Overview
1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv. (CAS 115076-95-4), with molecular formula C29H50Cl2N2O7 and molecular weight 608.30 g/mol. IUPAC: [(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] 4-(4-methylpiperazin-1-yl)butanoate;dihydrochloride.
Chemical Property Profile of 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv.
Property Insights of 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv.
The XLogP value of 2.3712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv.. The TPSA of 119.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv.. Following Lipinski's Rule of Five, 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv. has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv.?
The CAS number of 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv. is 115076-95-4.
What is the molecular formula of 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv.?
The molecular formula of 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv. is C29H50Cl2N2O7.
What is the molecular weight of 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv.?
The molecular weight of 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv. is 608.30 g/mol.
Where can I buy 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv.?
You can request a quote for 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv.?
Yes, KEHONG BIO provides custom synthesis services for 1H-Naphtho(2,1-b)pyran, 1-piperazinebutanoic acid deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.