RefChem:305530
TL;DR: RefChem:305530 (CAS 69782-27-0) is a chemical compound with molecular formula C20H25ClNO5P and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)propyl-dimethylazanium;dihydrogen phosphate
Also Known As: 3-Chloro-5-(3-dimethylaminopropyl)-5H-dibenzo(a,d)cyclohepten-5-ol hydrogen phosphate, 5H-Dibenzo(a,d)cyclohepten-5-ol, 3-chloro-5-(3-dimethylaminopropyl)-, hydrogen phosphate, RefChem:305530
| Molecular Formula | C20H25ClNO5P |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 1.42 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.11588 |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 69782-27-0 |
|---|---|
| SMILES | C[NH+](C)CCCC1(C2=CC=CC=C2C=CC3=C1C=C(C=C3)Cl)O.OP(=O)(O)[O-] |
| InChIKey | SMTKHZQWESINGI-UHFFFAOYSA-N |
Product Overview
RefChem:305530 (CAS 69782-27-0), with molecular formula C20H25ClNO5P and molecular weight 425.12 g/mol. IUPAC: 3-(5-chloro-2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)propyl-dimethylazanium;dihydrogen phosphate.
Chemical Property Profile of RefChem:305530
Property Insights of RefChem:305530
The XLogP value of 1.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305530. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305530. Following Lipinski's Rule of Five, RefChem:305530 has 4 hydrogen bond donor(s) and 5 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 RefChem:305530?
The CAS number of RefChem:305530 is 69782-27-0.
What is the molecular formula of RefChem:305530?
The molecular formula of RefChem:305530 is C20H25ClNO5P.
What is the molecular weight of RefChem:305530?
The molecular weight of RefChem:305530 is 425.12 g/mol.
Where can I buy RefChem:305530?
You can request a quote for RefChem:305530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305530?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.