XV 459
TL;DR: XV 459 (CAS 170902-52-0) is a chemical compound with molecular formula C20H27N5O6 and molecular weight 433.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
XV 459
(2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid
Also Known As: Roxifiban, hydrolyzed DMP 755, (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid, L-Alanine, 3-(((3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acetyl)amino)-N-(butoxycarbonyl)-, (R)-, (2S)-2-[(BUTOXYCARBONYL)AMINO]-3-{2-[(5R)-3-(4-CARBAMIMIDOYLPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL]ACETAMIDO}PROPANOIC ACID
| Molecular Formula | C20H27N5O6 |
|---|---|
| Molecular Weight | 433.20 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 433.19614 |
| Heavy Atoms | 31 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 170902-52-0 |
|---|---|
| SMILES | CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)C2=CC=C(C=C2)C(=N)N)C(=O)O |
| InChIKey | SRRJCHGGTPFZSS-ZBFHGGJFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
XV 459 (CAS 170902-52-0), with molecular formula C20H27N5O6 and molecular weight 433.20 g/mol. IUPAC: (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid.
Chemical Property Profile of XV 459
Property Insights of XV 459
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for XV 459. The TPSA of 176.0 Ų indicates high polarity, suggesting XV 459 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, XV 459 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of XV 459?
The CAS number of XV 459 is 170902-52-0.
What is the molecular formula of XV 459?
The molecular formula of XV 459 is C20H27N5O6.
What is the molecular weight of XV 459?
The molecular weight of XV 459 is 433.20 g/mol.
Where can I buy XV 459?
You can request a quote for XV 459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for XV 459?
Yes, KEHONG BIO provides custom synthesis services for XV 459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.