C30H49N7O6S2.ClH
TL;DR: C30H49N7O6S2.ClH (CAS 2807-80-9) is a chemical compound with molecular formula C30H50ClN7O6S2 and molecular weight 703.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanamide;hydrochloride
Also Known As: L-Methioninamide, L-alanyl-L-phenylalanyl-L-isoleucylglycyl-L-methionyl-, monohydrochloride, L-Methioninamide, L-alanyl-L-phenylalanyl-L- isoleucylglycyl-L-methionyl-, monohydrochloride, L-alanyl-l-phenylalanyl-l-isoleucylglycyl-l-methionyl-methioninamide hydrochloride, (2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenyl-propanoyl]amino]-N-[2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]-3-methyl-pentanamide hydrochloride, (2S,3S)-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanamide hydrochloride
| Molecular Formula | C30H50ClN7O6S2 |
|---|---|
| Molecular Weight | 703.30 g/mol |
| LogP | 0.0911 |
| Topological Polar Surface Area | 214.61 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Exact Mass | 703.2952 |
| Heavy Atoms | 46 |
| Complexity | 1132.2312 |
Chemical Identifiers
| CAS Number | 2807-80-9 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)N.Cl |
Product Overview
C30H49N7O6S2.ClH (CAS 2807-80-9), with molecular formula C30H50ClN7O6S2 and molecular weight 703.30 g/mol. IUPAC: (2S,3S)-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanamide;hydrochloride.
Chemical Property Profile of C30H49N7O6S2.ClH
Property Insights of C30H49N7O6S2.ClH
The XLogP value of 0.0911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C30H49N7O6S2.ClH. The TPSA of 214.61 Ų indicates high polarity, suggesting C30H49N7O6S2.ClH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C30H49N7O6S2.ClH has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C30H49N7O6S2.ClH?
The CAS number of C30H49N7O6S2.ClH is 2807-80-9.
What is the molecular formula of C30H49N7O6S2.ClH?
The molecular formula of C30H49N7O6S2.ClH is C30H50ClN7O6S2.
What is the molecular weight of C30H49N7O6S2.ClH?
The molecular weight of C30H49N7O6S2.ClH is 703.30 g/mol.
Where can I buy C30H49N7O6S2.ClH?
You can request a quote for C30H49N7O6S2.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C30H49N7O6S2.ClH?
Yes, KEHONG BIO provides custom synthesis services for C30H49N7O6S2.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.