VL5KG0JL3S
TL;DR: VL5KG0JL3S (CAS 212966-15-9) is a chemical compound with molecular formula C49H63N13O7 and molecular weight 945.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methylpentanamide
Also Known As: J1.041.039H, D-Phenylalaninamide, N-acetyl-D-histidyl-D-phenylalanyl-D-isoleucyl-D-arginyl-D-tryptophyl-, (2R,3R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methylpentanamide, (2R,3R)-2-((R)-2-((R)-2-acetamido-3-(1H-imidazol-4-yl)propanamido)-3-phenylpropanamido)-N-((R)-1-(((R)-1-(((R)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)-3-methylpentanamide, (2R,3R)-N-[(1R)-4-carbamimidamido-1-{[(1R)-1-{[(1R)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-[(2R)-2-[(2R)-2-acetamido-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-methylpentanamide
| Molecular Formula | C49H63N13O7 |
|---|---|
| Molecular Weight | 945.50 g/mol |
| LogP | 0.6753 |
| Topological Polar Surface Area | 326.56 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 26 |
| Exact Mass | 945.4973 |
| Heavy Atoms | 69 |
| Complexity | 2528.2026 |
Chemical Identifiers
| CAS Number | 212966-15-9 |
|---|---|
| SMILES | CC[C@@H](C)[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CN=CN5)NC(=O)C |
Product Overview
VL5KG0JL3S (CAS 212966-15-9), with molecular formula C49H63N13O7 and molecular weight 945.50 g/mol. IUPAC: (2R,3R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methylpentanamide.
Chemical Property Profile of VL5KG0JL3S
Property Insights of VL5KG0JL3S
The XLogP value of 0.6753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VL5KG0JL3S. The TPSA of 326.56 Ų indicates high polarity, suggesting VL5KG0JL3S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, VL5KG0JL3S has 11 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 VL5KG0JL3S?
The CAS number of VL5KG0JL3S is 212966-15-9.
What is the molecular formula of VL5KG0JL3S?
The molecular formula of VL5KG0JL3S is C49H63N13O7.
What is the molecular weight of VL5KG0JL3S?
The molecular weight of VL5KG0JL3S is 945.50 g/mol.
Where can I buy VL5KG0JL3S?
You can request a quote for VL5KG0JL3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VL5KG0JL3S?
Yes, KEHONG BIO provides custom synthesis services for VL5KG0JL3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.