YM 21095
TL;DR: YM 21095 (CAS 119832-19-8) is a chemical compound with molecular formula C37H49N9O5S and molecular weight 731.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C37H49N9O5S |
|---|---|
| Molecular Weight | 731.36 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 731.3577 |
| Heavy Atoms | 52 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 119832-19-8 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
YM 21095 (CAS 119832-19-8), with molecular formula C37H49N9O5S and molecular weight 731.36 g/mol. IUPAC: 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.
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
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 731.36 g/mol.
Where can I buy YM 21095?
You can request a quote for YM 21095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM 21095?
Yes, KEHONG BIO provides custom synthesis services for YM 21095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.