HY-P4040
TL;DR: HY-P4040 (CAS 208940-40-3) is a chemical compound with molecular formula C36H58N6O14S and molecular weight 830.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]propanedioic acid
Also Known As: HY-P4040, J1.474.625K, HCV NS3 protease inhibitor derived from substrate, 2-[(2R)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]propanedioic acid, 2-[(2R)-2-[(2S)-3-CARBOXY-2-ACETAMIDOPROPANAMIDO]-2-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1R)-1-CARBOXY-2-SULFANYLETHYL]CARBAMOYL}-2-CYCLOHEXYLETHYL]CARBAMOYL}-2-METHYLBUTYL]CARBAMOYL}-3-METHYLBUTYL]CARBAMOYL}ETHYL]PROPANEDIOIC ACID
| Molecular Formula | C36H58N6O14S |
|---|---|
| Molecular Weight | 830.37 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 325.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Exact Mass | 830.37317 |
| Heavy Atoms | 57 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 208940-40-3 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C |
| InChIKey | XKYQOVYBVHBDGP-XKQRCBBTSA-N |
Product Overview
HY-P4040 (CAS 208940-40-3), with molecular formula C36H58N6O14S and molecular weight 830.37 g/mol. IUPAC: 2-[(2R)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]propanedioic acid.
Chemical Property Profile of HY-P4040
Property Insights of HY-P4040
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HY-P4040. The TPSA of 325.0 Ų indicates high polarity, suggesting HY-P4040 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, HY-P4040 has 11 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of HY-P4040?
The CAS number of HY-P4040 is 208940-40-3.
What is the molecular formula of HY-P4040?
The molecular formula of HY-P4040 is C36H58N6O14S.
What is the molecular weight of HY-P4040?
The molecular weight of HY-P4040 is 830.37 g/mol.
Where can I buy HY-P4040?
You can request a quote for HY-P4040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HY-P4040?
Yes, KEHONG BIO provides custom synthesis services for HY-P4040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.