4,4',5'-Trimethylazapsoralen
TL;DR: 4,4',5'-Trimethylazapsoralen (CAS 120482-97-5) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,10-trimethyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8,10-pentaen-12-one
Also Known As: 4,4',5'-Trimethylazapsoralen, TMAP, 4,4',5'-TMAP, 4,4/',5/'-Trimethylazapsoralen, 4,4 ,5 -Trimethylazapsoralen
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 120482-97-5 |
|---|---|
| SMILES | CC1=CC(=O)OC2=NC3=C(C=C12)C(=C(O3)C)C |
| InChIKey | PVGCABHUJKHXIP-UHFFFAOYSA-N |
Product Overview
4,4',5'-Trimethylazapsoralen (CAS 120482-97-5), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 5,6,10-trimethyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8,10-pentaen-12-one.
Chemical Property Profile of 4,4',5'-Trimethylazapsoralen
Property Insights of 4,4',5'-Trimethylazapsoralen
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4',5'-Trimethylazapsoralen. With a topological polar surface area (TPSA) of 52.3 Ų, 4,4',5'-Trimethylazapsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4',5'-Trimethylazapsoralen has 0 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 4,4',5'-Trimethylazapsoralen?
The CAS number of 4,4',5'-Trimethylazapsoralen is 120482-97-5.
What is the molecular formula of 4,4',5'-Trimethylazapsoralen?
The molecular formula of 4,4',5'-Trimethylazapsoralen is C13H11NO3.
What is the molecular weight of 4,4',5'-Trimethylazapsoralen?
The molecular weight of 4,4',5'-Trimethylazapsoralen is 229.07 g/mol.
Where can I buy 4,4',5'-Trimethylazapsoralen?
You can request a quote for 4,4',5'-Trimethylazapsoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4',5'-Trimethylazapsoralen?
Yes, KEHONG BIO provides custom synthesis services for 4,4',5'-Trimethylazapsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.