DX-9065 Hydrochloride pentahydrate
TL;DR: DX-9065 Hydrochloride pentahydrate (CAS 155204-81-2) is a chemical compound with molecular formula C26H39ClN4O8 and molecular weight 570.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid;pentahydrate;hydrochloride
Also Known As: dx-9065a, DX 9065a, DX-9065A HCl hydrate, 1,4-Pentadiyne,3-ethynyl, DX-9065 Hydrochloride pentahydrate
| Molecular Formula | C26H39ClN4O8 |
|---|---|
| Molecular Weight | 570.25 g/mol |
| LogP | 0.28 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 570.24567 |
| Heavy Atoms | 39 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 155204-81-2 |
|---|---|
| SMILES | CC(=N)N1CC[C@@H](C1)OC2=CC=C(C=C2)[C@H](CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O.O.O.O.O.O.Cl |
| InChIKey | LJCBAPRMNYSDOP-LVCYMWGESA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DX-9065 Hydrochloride pentahydrate (CAS 155204-81-2), with molecular formula C26H39ClN4O8 and molecular weight 570.25 g/mol. IUPAC: (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid;pentahydrate;hydrochloride.
Chemical Property Profile of DX-9065 Hydrochloride pentahydrate
Property Insights of DX-9065 Hydrochloride pentahydrate
The XLogP value of 0.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DX-9065 Hydrochloride pentahydrate. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DX-9065 Hydrochloride pentahydrate. Following Lipinski's Rule of Five, DX-9065 Hydrochloride pentahydrate has 10 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 DX-9065 Hydrochloride pentahydrate?
The CAS number of DX-9065 Hydrochloride pentahydrate is 155204-81-2.
What is the molecular formula of DX-9065 Hydrochloride pentahydrate?
The molecular formula of DX-9065 Hydrochloride pentahydrate is C26H39ClN4O8.
What is the molecular weight of DX-9065 Hydrochloride pentahydrate?
The molecular weight of DX-9065 Hydrochloride pentahydrate is 570.25 g/mol.
Where can I buy DX-9065 Hydrochloride pentahydrate?
You can request a quote for DX-9065 Hydrochloride pentahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DX-9065 Hydrochloride pentahydrate?
Yes, KEHONG BIO provides custom synthesis services for DX-9065 Hydrochloride pentahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.