YM 21095
TL;DR: YM 21095 (CAS 119832-19-8) is a chemical compound with molecular formula C37H49N9O5S and molecular weight 731.3577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[[1-cyclohexyl-3-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanamide
Also Known As: YM 21095, N-[1-[[1-cyclohexyl-3-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanamide, 3-(Nalpha-(1,4-dioxo-4-morpholino-2-(1-naphthylmethyl)butyl)histidylamino)-4-cyclohexyl-1-((1-methyl-5-tetrazolyl)thio)-2-butanol, 4-Morpholinebutanamide, N-(2-((1-(cyclohexylmethyl)-2-hydroxy-3-((1-methyl-1H-tetrazol-5-yl)thio)propyl)amino)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-alpha-(1-naphthalenylmethyl)-gamma-oxo-, N-[1-({1-cyclohexyl-3-hydroxy-4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-2-yl}carbamoyl)-2-(1H-imidazol-5-yl)ethyl]-4-(morpholin-4-yl)-2-[(naphthalen-1-yl)methyl]-4-oxobutanamide
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C37H49N9O5S |
| Molecular Weight | 731.3577 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 206.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 731.3577 Da |
| Heavy Atoms | 52 |
| Complexity | 1140.0 |
| SMILES | CN1C(=NN=N1)SCC(C(CC2CCCCC2)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC4=CC=CC5=CC=CC=C54)CC(=O)N6CCOCC6)O |
| InChIKey | RWKUHCPMOHGXNC-UHFFFAOYSA-N |
Chemical Property Profile of YM 21095
Property Insights of YM 21095
The XLogP value of 4.0 indicates that YM 21095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting YM 21095 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, YM 21095 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of YM 21095?
The CAS number of YM 21095 is 119832-19-8.
What is the molecular formula of YM 21095?
The molecular formula of YM 21095 is C37H49N9O5S.
What is the molecular weight of YM 21095?
The molecular weight of YM 21095 is 731.3577 g/mol.
Where can I buy YM 21095?
You can request a quote for YM 21095 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for YM 21095?
Yes, CoreyChem provides custom synthesis services for YM 21095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.