2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine
TL;DR: 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine (CAS 119188-97-5) is a chemical compound with molecular formula C29H37NO14 and molecular weight 627.23785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzoyl-N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]-2-tritiopropan-2-yl]-N-tritiobenzamide
Also Known As: BB-Bmpa, 2-N-(4-Benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine, 4-benzoyl-N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]-2-tritiopropan-2-yl]-N-tritiobenzamide, 4-(benzoyl)-n-[1,3-bis[[(2r,3r,4r,5s)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]-2-tritiopropan-2-yl]-n-tritiobenzamide, 4-Benzoyl-N-[1,3-bis{[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}(2-~3~H)propan-2-yl](N-~3~H)benzamide
Technical Specifications
| Molecular Formula | C29H37NO14 |
| Molecular Weight | 627.23785 g/mol |
| XLogP | -3.6 |
| Topological Polar Surface Area (TPSA) | 261.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 20 |
| Exact Mass | 627.23785 Da |
| Heavy Atoms | 44 |
| Complexity | 840.0 |
| SMILES | [3H]C(CO[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)(CO[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)N([3H])C(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | BSTDRJRJBYFKIU-IOOKBIAFSA-N |
Chemical Property Profile of 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine
Property Insights of 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine
The XLogP value of -3.6 indicates that 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 261.0 Ų indicates high polarity, suggesting 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine?
The CAS number of 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine is 119188-97-5.
What is the molecular formula of 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine?
The molecular formula of 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine is C29H37NO14.
What is the molecular weight of 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine?
The molecular weight of 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine is 627.23785 g/mol.
Where can I buy 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine?
You can request a quote for 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine?
Yes, CoreyChem provides custom synthesis services for 2-N-(4-benzoyl)benzoyl-1,3-bis(mannos-4-yloxy)-2-propylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.