Pacidamycin 2
TL;DR: Pacidamycin 2 (CAS 121264-06-0) is a chemical compound with molecular formula C39H49N9O12 and molecular weight 835.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[(6S)-2,6-diamino-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-5-oxoheptanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]carbamoyl]amino]-3-phenylpropanoic acid
Also Known As: Pacidamycin 2, 2-[[[(6S)-2,6-diamino-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-5-oxoheptanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]carbamoyl]amino]-3-phenylpropanoic acid, N-(((1-Carboxy-2-phenylethyl)amino)carbonyl)alanyl-N3-(N-alanyl-3-hydroxyphenylalanyl)-N-((5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene)methyl)-N3-methyl-2,3-diaminobutanamide, Butanamide, N-(((1-carboxy-2-phenylethyl)amino)carbonyl)alanyl-N3-(N-alanyl-3-hydroxyphenylalanyl)-N-((5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene)methyl)-N3-methyl-2,3-diamino-
| Molecular Formula | C39H49N9O12 |
|---|---|
| Molecular Weight | 835.35 g/mol |
| LogP | -1.8671 |
| Topological Polar Surface Area | 335.8 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 835.3501 |
| Heavy Atoms | 60 |
| Complexity | 2207.14 |
Chemical Identifiers
| CAS Number | 121264-06-0 |
|---|---|
| SMILES | C[C@@H](C(=O)CC(C(C(=O)N(/C=C/1\CC(C(O1)N2C=CC(=O)NC2=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)N)N(C)C(=O)[C@H](CC4=CC(=CC=C4)O)NC(=O)[C@H](C)N)N |
Product Overview
Pacidamycin 2 (CAS 121264-06-0), with molecular formula C39H49N9O12 and molecular weight 835.35 g/mol. IUPAC: 2-[[[(6S)-2,6-diamino-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-5-oxoheptanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]carbamoyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of Pacidamycin 2
Property Insights of Pacidamycin 2
The XLogP value of -1.8671 indicates that Pacidamycin 2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 335.8 Ų indicates high polarity, suggesting Pacidamycin 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pacidamycin 2 has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pacidamycin 2?
The CAS number of Pacidamycin 2 is 121264-06-0.
What is the molecular formula of Pacidamycin 2?
The molecular formula of Pacidamycin 2 is C39H49N9O12.
What is the molecular weight of Pacidamycin 2?
The molecular weight of Pacidamycin 2 is 835.35 g/mol.
Where can I buy Pacidamycin 2?
You can request a quote for Pacidamycin 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pacidamycin 2?
Yes, KEHONG BIO provides custom synthesis services for Pacidamycin 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.