Napsamycin B
TL;DR: Napsamycin B (CAS 144408-86-6) is a chemical compound with molecular formula C40H50N8O12S and molecular weight 866.3269 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2S)-1-[[2-amino-3-[(6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]butanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Also Known As: Napsamycin B, 2-[[(2S)-1-[[2-amino-3-[(6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]butanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid, 2-[[1-[[1-[[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[(6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid, 2-[[(2S)-1-[[2-amino-3-[(6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]butanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)prop
Technical Specifications
| Molecular Formula | C40H50N8O12S |
| Molecular Weight | 866.3269 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 319.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 866.3269 Da |
| Heavy Atoms | 61 |
| Complexity | 1720.0 |
| SMILES | CC1C2=C(CC(N1)C(=O)N(C)C(C)C(C(=O)N(/C=C/3\CC(C(O3)N4C=CC(=O)NC4=O)O)C(=O)[C@H](CCSC)NC(=O)NC(CC5=CC(=CC=C5)O)C(=O)O)N)C=C(C=C2)O |
| InChIKey | DWXXLGVCFHPQON-UNXMRGBDSA-N |
Chemical Property Profile of Napsamycin B
Property Insights of Napsamycin B
The XLogP value of -2.4 indicates that Napsamycin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 319.0 Ų indicates high polarity, suggesting Napsamycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Napsamycin B has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Napsamycin B?
The CAS number of Napsamycin B is 144408-86-6.
What is the molecular formula of Napsamycin B?
The molecular formula of Napsamycin B is C40H50N8O12S.
What is the molecular weight of Napsamycin B?
The molecular weight of Napsamycin B is 866.3269 g/mol.
Where can I buy Napsamycin B?
You can request a quote for Napsamycin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Napsamycin B?
Yes, CoreyChem provides custom synthesis services for Napsamycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.