Dehydromerodesmosine
TL;DR: Dehydromerodesmosine (CAS 51299-87-7) is a chemical compound with molecular formula C18H32N4O6 and molecular weight 400.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z,2S,10S)-2,10-diamino-5-[[(5S)-5-amino-5-carboxypentyl]iminomethyl]undec-5-enedioic acid
Also Known As: Dehydromerodesmosine, (Z,2S,10S)-2,10-diamino-5-[[(5S)-5-amino-5-carboxypentyl]iminomethyl]undec-5-enedioic acid, 5-Undecenedioic acid, 2,10-diamino-5-(((5-amino-5-carboxypentyl)imino)methyl)-, (2S-(2S*,5(S*),10S*))-, (Z,2S,10S)-2,10-diamino-5-[[(5S)-5-amino-6-hydroxy-6-oxohexyl]iminomethyl]undec-5-enedioic acid, 5-Undecenedioic acid, 2,10-diamino-5-(((5-amino-5-carboxypentyl)imino)methyl)-, (2S-(2R*,5(R*),10R*))-
| Molecular Formula | C18H32N4O6 |
|---|---|
| Molecular Weight | 400.23 g/mol |
| LogP | 0.3401 |
| Topological Polar Surface Area | 202.32 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 400.23218 |
| Heavy Atoms | 28 |
| Complexity | 564.27905 |
Chemical Identifiers
| CAS Number | 51299-87-7 |
|---|---|
| SMILES | C(CCN=C/C(=C\CCC[C@@H](C(=O)O)N)/CC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N |
Product Overview
Dehydromerodesmosine (CAS 51299-87-7), with molecular formula C18H32N4O6 and molecular weight 400.23 g/mol. IUPAC: (Z,2S,10S)-2,10-diamino-5-[[(5S)-5-amino-5-carboxypentyl]iminomethyl]undec-5-enedioic acid.
Chemical Property Profile of Dehydromerodesmosine
Property Insights of Dehydromerodesmosine
The XLogP value of 0.3401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydromerodesmosine. The TPSA of 202.32 Ų indicates high polarity, suggesting Dehydromerodesmosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dehydromerodesmosine has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dehydromerodesmosine?
The CAS number of Dehydromerodesmosine is 51299-87-7.
What is the molecular formula of Dehydromerodesmosine?
The molecular formula of Dehydromerodesmosine is C18H32N4O6.
What is the molecular weight of Dehydromerodesmosine?
The molecular weight of Dehydromerodesmosine is 400.23 g/mol.
Where can I buy Dehydromerodesmosine?
You can request a quote for Dehydromerodesmosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydromerodesmosine?
Yes, KEHONG BIO provides custom synthesis services for Dehydromerodesmosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.