ChemDiv3_002952
TL;DR: ChemDiv3_002952 (CAS 310447-08-6) is a chemical compound with molecular formula C25H21N3O and molecular weight 379.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-methoxyphenyl)-5-methyl-6-phenyl-2,6-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraene-4-carbonitrile
Also Known As: ChemDiv3_002952, 8-(4-methoxyphenyl)-2-methyl-1-phenyl-1,5,6,7-tetrahydrocyclopenta[b]pyrrolo[2,3-e]pyridine-3-carbonitrile, AH-262/13099006, 8-(4-Methoxyphenyl)-5-methyl-6-phenyl-2,6-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraene-4-carbonitrile, 8-(4-METHOXYPHENYL)-2-METHYL-1-PHENYL-1,5,6,7-TETRAHYDROCYCLOPENTA[B]PYRROLO[2,3-E]PYRIDIN-3-YL CYANIDE
| Molecular Formula | C25H21N3O |
|---|---|
| Molecular Weight | 379.17 g/mol |
| LogP | 5.3699 |
| Topological Polar Surface Area | 50.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.16846 |
| Heavy Atoms | 29 |
| Complexity | 1262.1554 |
Chemical Identifiers
| CAS Number | 310447-08-6 |
|---|---|
| SMILES | CC1=C(C2=NC3=C(CCC3)C(=C2N1C4=CC=CC=C4)C5=CC=C(C=C5)OC)C#N |
Product Overview
ChemDiv3_002952 (CAS 310447-08-6), with molecular formula C25H21N3O and molecular weight 379.17 g/mol. IUPAC: 8-(4-methoxyphenyl)-5-methyl-6-phenyl-2,6-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraene-4-carbonitrile.
Chemical Property Profile of ChemDiv3_002952
Property Insights of ChemDiv3_002952
The XLogP value of 5.3699 indicates that ChemDiv3_002952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.84 Ų, ChemDiv3_002952 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002952 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_002952?
The CAS number of ChemDiv3_002952 is 310447-08-6.
What is the molecular formula of ChemDiv3_002952?
The molecular formula of ChemDiv3_002952 is C25H21N3O.
What is the molecular weight of ChemDiv3_002952?
The molecular weight of ChemDiv3_002952 is 379.17 g/mol.
Where can I buy ChemDiv3_002952?
You can request a quote for ChemDiv3_002952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002952?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.