N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺
TL;DR: N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺 (CAS 82864-21-9) is a chemical compound with molecular formula C33H60N4O11 and molecular weight 688.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺
(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-(hexadecanoylamino)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid
Also Known As: NP-Mdp, N-PA-Mur-ala-isogln, KST-1A8426, N-Palmitoylmuramyl-alanyl-isoglutamine, (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-(hexadecanoylamino)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid
| Molecular Formula | C33H60N4O11 |
|---|---|
| Molecular Weight | 688.43 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 26 |
| Exact Mass | 688.42584 |
| Heavy Atoms | 48 |
| Complexity | 985.0 |
Chemical Identifiers
| CAS Number | 82864-21-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N)C(=O)O |
| InChIKey | PXJKUDSRRQSVIW-MKANCOBZSA-N |
Product Overview
N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺 (CAS 82864-21-9), with molecular formula C33H60N4O11 and molecular weight 688.43 g/mol. IUPAC: (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-(hexadecanoylamino)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid.
Chemical Property Profile of N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺
Property Insights of N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺
The XLogP value of 3.6 indicates that N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 247.0 Ų indicates high polarity, suggesting N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺 has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺?
The CAS number of N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺 is 82864-21-9.
What is the molecular formula of N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺?
The molecular formula of N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺 is C33H60N4O11.
What is the molecular weight of N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺?
The molecular weight of N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺 is 688.43 g/mol.
Where can I buy N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺?
You can request a quote for N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-棕榈酰胞壁酰-丙氨酰-异谷氨酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.