1DMe
TL;DR: 1DMe (CAS 145274-94-8) is a chemical compound with molecular formula C55H78N14O11 and molecular weight 1110.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
Also Known As: 1DMe, (1DME)Y8Fa, (1DMe)NPYF, [D.Tyr1,(N.Me)Phe3]NPFF, [D-Tyr1,(NMe)Phe3]neuropeptide FF
| Molecular Formula | C55H78N14O11 |
|---|---|
| Molecular Weight | 1110.60 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 426.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 32 |
| Exact Mass | 1110.5974 |
| Heavy Atoms | 80 |
| Complexity | 2120.0 |
Chemical Identifiers
| CAS Number | 145274-94-8 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)N(C)C(=O)[C@H](CC4=CC=C(C=C4)O)N |
| InChIKey | UQGBICZACVFETI-YTAGXALCSA-N |
Product Overview
1DMe (CAS 145274-94-8), with molecular formula C55H78N14O11 and molecular weight 1110.60 g/mol. IUPAC: (2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide.
Chemical Property Profile of 1DMe
Property Insights of 1DMe
The XLogP value of -0.4 indicates that 1DMe is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 426.0 Ų indicates high polarity, suggesting 1DMe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1DMe has 12 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1DMe?
The CAS number of 1DMe is 145274-94-8.
What is the molecular formula of 1DMe?
The molecular formula of 1DMe is C55H78N14O11.
What is the molecular weight of 1DMe?
The molecular weight of 1DMe is 1110.60 g/mol.
Where can I buy 1DMe?
You can request a quote for 1DMe directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1DMe?
Yes, KEHONG BIO provides custom synthesis services for 1DMe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.