3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol
TL;DR: 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol (CAS 10038-74-1) is a chemical compound with molecular formula C46H48N2O6 and molecular weight 724.35126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-8-(1-phenylethyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(1-phenylethyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
Also Known As: 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol, (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-8-[(1-phenylethylamino)methylidene]-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-1-[(1-phenylethylamino)methylidene]-4-propan-2-ylnaphthalen-2-one, 5,5'-Diisopropyl-3,3'-dimethyl-8,8'-bis(((1-phenylethyl)imino)methyl)-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol, 5,5'-diisopropyl-3,3'-dimethyl-8,8'-bis((E)-((1-phenylethyl)imino)methyl)-2,2'-binaphthalene-1,1',6,6',7,7'-hexol, (8Z,8'Z)-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-8,8'-bis{[(1-phenylethyl)amino]methylidene}-5,5'-di(propan-2-yl)-2,2'-binaphthalene-7,7'(8H,8'H)-dione
Technical Specifications
| Molecular Formula | C46H48N2O6 |
| Molecular Weight | 724.35126 g/mol |
| XLogP | 10.2 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 724.35126 Da |
| Heavy Atoms | 54 |
| Complexity | 1150.0 |
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC(C)C3=CC=CC=C3)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC(C)C6=CC=CC=C6)O)O)C(C)C)O)O |
| InChIKey | BPXIBBNVQKIXGG-UHFFFAOYSA-N |
Product Description
Applications: AC1NS7VA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
AC1NS7VA is a fine chemical identified by CAS number 10038-74-1 and the molecular formula C46H48N2O6 and a molecular weight of 724.35 g/mol. Synonyms include 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol and (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-8-[(1-phenylethylamino)methylidene]-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-1-[(1-phenylethylamino)methylidene]-4-propan-2-ylnaphthalen-2-one.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol
Property Insights of 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol
The XLogP value of 10.2 indicates that 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol has 6 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 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol?
The CAS number of 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol is 10038-74-1.
What is the molecular formula of 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol?
The molecular formula of 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol is C46H48N2O6.
What is the molecular weight of 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol?
The molecular weight of 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol is 724.35126 g/mol.
What are the applications of 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol?
AC1NS7VA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol?
You can request a quote for 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol?
Yes, CoreyChem provides custom synthesis services for 3-(Butylamino)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.