C25H21ClN2O5
TL;DR: C25H21ClN2O5 (CAS 846587-52-8) is a chemical compound with molecular formula C25H21ClN2O5 and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-9-chloro-5-(3,4-dimethoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(3,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(3,4-dimethoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine, 2-(benzo[d][1,3]dioxol-5-yl)-9-chloro-5-(3,4-dimethoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine
| Molecular Formula | C25H21ClN2O5 |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 5.3282 |
| Topological Polar Surface Area | 61.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.1139 |
| Heavy Atoms | 33 |
| Complexity | 1277.6472 |
Chemical Identifiers
| CAS Number | 846587-52-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=C(O2)C=CC(=C6)Cl)OC |
Product Overview
C25H21ClN2O5 (CAS 846587-52-8), with molecular formula C25H21ClN2O5 and molecular weight 464.11 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(3,4-dimethoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of C25H21ClN2O5
Property Insights of C25H21ClN2O5
The XLogP value of 5.3282 indicates that C25H21ClN2O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.75 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H21ClN2O5. Following Lipinski's Rule of Five, C25H21ClN2O5 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H21ClN2O5?
The CAS number of C25H21ClN2O5 is 846587-52-8.
What is the molecular formula of C25H21ClN2O5?
The molecular formula of C25H21ClN2O5 is C25H21ClN2O5.
What is the molecular weight of C25H21ClN2O5?
The molecular weight of C25H21ClN2O5 is 464.11 g/mol.
Where can I buy C25H21ClN2O5?
You can request a quote for C25H21ClN2O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H21ClN2O5?
Yes, KEHONG BIO provides custom synthesis services for C25H21ClN2O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.