TL;DR: H-Mel-Lys-Pro-Val-NH2 (CAS 112983-69-4) is a chemical compound with molecular formula C29H47Cl2N7O4 and molecular weight 627.30664 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]hexanoyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
Also Known As: H-Mel-Lys-Pro-Val-NH2, 4-((Bis(2-chloroethyl)amino)-L-phenylalanyl)-L-lysyl-L-propyl-L-valinamide, L-Valinamide, 4-(bis((2-chloroethyl)amino)-L-phenylalanyl)-L-lysyl-L-propyl-, 4-[Bis(2-chloroethyl)amino]-L-phenylalanyl-L-lysyl-L-prolyl-L-valinamide, (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]hexanoyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
| Molecular Formula | C29H47Cl2N7O4 |
| Molecular Weight | 627.30664 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 627.30664 Da |
| Heavy Atoms | 42 |
| Complexity | 867.0 |
| SMILES | CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=C(C=C2)N(CCCl)CCCl)N |
| InChIKey | UKKXXLVQAHXYHP-QORCZRPOSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for H-Mel-Lys-Pro-Val-NH2. The TPSA of 177.0 Ų indicates high polarity, suggesting H-Mel-Lys-Pro-Val-NH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-Mel-Lys-Pro-Val-NH2 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of H-Mel-Lys-Pro-Val-NH2 is 112983-69-4.
The molecular formula of H-Mel-Lys-Pro-Val-NH2 is C29H47Cl2N7O4.
The molecular weight of H-Mel-Lys-Pro-Val-NH2 is 627.30664 g/mol.
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