![(3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide structure](/static/products/956/956611-94-2.png)
(3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide
TL;DR: (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide (CAS 956611-94-2) is a chemical compound with molecular formula C22H30N2O8 and molecular weight 450.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,6R,8S,9R)-N-[3-(2-methoxyanilino)-3-oxopropyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
Also Known As: (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide, (3aR,5S,5aR,8aS,8bR)-N-{3-[(2-methoxyphenyl)amino]-3-oxopropyl}-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)
| Molecular Formula | C22H30N2O8 |
|---|---|
| Molecular Weight | 450.20 g/mol |
| LogP | 1.5365 |
| Topological Polar Surface Area | 113.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.20023 |
| Heavy Atoms | 32 |
| Complexity | 873.2417 |
Chemical Identifiers
| CAS Number | 956611-94-2 |
|---|---|
| SMILES | CC1(O[C@H]2[C@@H](O1)[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)C(=O)NCCC(=O)NC4=CC=CC=C4OC)C |
Product Overview
(3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide (CAS 956611-94-2), with molecular formula C22H30N2O8 and molecular weight 450.20 g/mol. IUPAC: (1S,2R,6R,8S,9R)-N-[3-(2-methoxyanilino)-3-oxopropyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
Chemical Property Profile of (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide
Property Insights of (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide
The XLogP value of 1.5365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide. The TPSA of 113.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide. Following Lipinski's Rule of Five, (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide has 2 hydrogen bond donor(s) and 8 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 (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide?
The CAS number of (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide is 956611-94-2.
What is the molecular formula of (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide?
The molecular formula of (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide is C22H30N2O8.
What is the molecular weight of (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide?
The molecular weight of (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide is 450.20 g/mol.
Where can I buy (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide?
You can request a quote for (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (3aR,5S,5aR,8aS,8bR)-N-(3-((2-methoxyphenyl)amino)-3-oxopropyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.