N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol
TL;DR: N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol (CAS 99518-28-2) is a chemical compound with molecular formula C49H81N5O12 and molecular weight 931.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(1R,2S,3R,4R)-4-acetamido-1,2-dihydroxy-1-methoxy-5-oxopentan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoate
Also Known As: Mtp-chol, Mdp-alanyl-cholesterol, 3-O-(Mdp-ala)cholesterol, Mtp-alanyl-3-O-cholesterol, N-Acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol
| Molecular Formula | C49H81N5O12 |
|---|---|
| Molecular Weight | 931.59 g/mol |
| LogP | 3.5023 |
| Topological Polar Surface Area | 261.78 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Exact Mass | 931.5882 |
| Heavy Atoms | 66 |
| Complexity | 1759.8207 |
Chemical Identifiers
| CAS Number | 99518-28-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)[C@H](C)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@H](O)OC)O)C)C |
Product Overview
N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol (CAS 99518-28-2), with molecular formula C49H81N5O12 and molecular weight 931.59 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(1R,2S,3R,4R)-4-acetamido-1,2-dihydroxy-1-methoxy-5-oxopentan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoate.
Chemical Property Profile of N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol
Property Insights of N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol
The XLogP value of 3.5023 indicates that N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 261.78 Ų indicates high polarity, suggesting N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol?
The CAS number of N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol is 99518-28-2.
What is the molecular formula of N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol?
The molecular formula of N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol is C49H81N5O12.
What is the molecular weight of N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol?
The molecular weight of N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol is 931.59 g/mol.
Where can I buy N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol?
You can request a quote for N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol?
Yes, KEHONG BIO provides custom synthesis services for N-acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.