Delmitide
TL;DR: Delmitide (CAS 287096-87-1) is a chemical compound with molecular formula C59H105N17O11 and molecular weight 1227.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[2-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]hexanamide
Also Known As: Delmitide, delmitida, delmitidum, Allotrap, Allotrap 1258
| Molecular Formula | C59H105N17O11 |
|---|---|
| Molecular Weight | 1227.82 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 480.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 47 |
| Exact Mass | 1227.818 |
| Heavy Atoms | 87 |
| Complexity | 2170.0 |
Chemical Identifiers
| CAS Number | 287096-87-1 |
|---|---|
| SMILES | CCCC[C@H](C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)NCC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)N |
| InChIKey | SFGFYNXPJMOUHK-PKAFTLKUSA-N |
Product Overview
Delmitide (CAS 287096-87-1), with molecular formula C59H105N17O11 and molecular weight 1227.82 g/mol. IUPAC: (2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[2-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]hexanamide.
Chemical Property Profile of Delmitide
Property Insights of Delmitide
The XLogP value of 3.3 indicates that Delmitide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 480.0 Ų indicates high polarity, suggesting Delmitide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Delmitide has 16 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 Delmitide?
The CAS number of Delmitide is 287096-87-1.
What is the molecular formula of Delmitide?
The molecular formula of Delmitide is C59H105N17O11.
What is the molecular weight of Delmitide?
The molecular weight of Delmitide is 1227.82 g/mol.
Where can I buy Delmitide?
You can request a quote for Delmitide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Delmitide?
Yes, KEHONG BIO provides custom synthesis services for Delmitide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.