RefChem:538249
TL;DR: RefChem:538249 (CAS 70179-78-1) is a chemical compound with molecular formula C25H25N5O and molecular weight 411.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-(diethylamino)-12-imino-3,11-diazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(22),2,4,6,8,13,16(21),17,19-nonaene-13-carboxamide
Also Known As: 5H-Benz(6,7)isoquino(1,2-b)quinazoline-8-carboxamide, 11-(diethylamino)-7,9-dihydro-7-imino-, 5H-Benz[6,7]isoquino[1,2-b]quinazoline-8-carboxamide, 11-(diethylamino)-7,9-dihydro-7-imino-, (7z)-11-(diethylamino)-7-imino-7,9-dihydro-5h-benzo[6,7]isoquino[1,2-b]quinazoline-8-carboxamide, 11-(Diethylamino)-7,9-dihydro-7-imino-5H-benz[6,7]isoquino[1,2-b]quinazoline-8-carboxamide, 11- -7,9-dihydro-7-imino-5H-benz[6,7]isoquino[1,2-b]quinazoline-8-carboxamide
| Molecular Formula | C25H25N5O |
|---|---|
| Molecular Weight | 411.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.2059 |
| Heavy Atoms | 31 |
| Complexity | 867.0 |
Chemical Identifiers
| CAS Number | 70179-78-1 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C5C4)C(=O)N)C2 |
| InChIKey | NXWGKPYPFXPEPR-UHFFFAOYSA-N |
Product Overview
RefChem:538249 (CAS 70179-78-1), with molecular formula C25H25N5O and molecular weight 411.21 g/mol. IUPAC: 18-(diethylamino)-12-imino-3,11-diazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(22),2,4,6,8,13,16(21),17,19-nonaene-13-carboxamide.
Chemical Property Profile of RefChem:538249
Property Insights of RefChem:538249
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:538249. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:538249. Following Lipinski's Rule of Five, RefChem:538249 has 2 hydrogen bond donor(s) and 4 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:538249?
The CAS number of RefChem:538249 is 70179-78-1.
What is the molecular formula of RefChem:538249?
The molecular formula of RefChem:538249 is C25H25N5O.
What is the molecular weight of RefChem:538249?
The molecular weight of RefChem:538249 is 411.21 g/mol.
Where can I buy RefChem:538249?
You can request a quote for RefChem:538249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:538249?
Yes, KEHONG BIO provides custom synthesis services for RefChem:538249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.