AB01291786-01
TL;DR: AB01291786-01 (CAS 879591-62-5) is a chemical compound with molecular formula C23H21N3O4 and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(3-hydroxyphenyl)-3,5-dimethyl-8-phenyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
Also Known As: AB01291786-01, 10-(3-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione, 10-(3-hydroxyphenyl)-1,3-dimethyl-5-phenyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione
| Molecular Formula | C23H21N3O4 |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 2.5309 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.1532 |
| Heavy Atoms | 30 |
| Complexity | 1396.2236 |
Chemical Identifiers
| CAS Number | 879591-62-5 |
|---|---|
| SMILES | CN1C2=C3C(OCCN3C(=C2C(=O)N(C1=O)C)C4=CC=CC=C4)C5=CC(=CC=C5)O |
Product Overview
AB01291786-01 (CAS 879591-62-5), with molecular formula C23H21N3O4 and molecular weight 403.15 g/mol. IUPAC: 13-(3-hydroxyphenyl)-3,5-dimethyl-8-phenyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione.
Chemical Property Profile of AB01291786-01
Property Insights of AB01291786-01
The XLogP value of 2.5309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01291786-01. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01291786-01. Following Lipinski's Rule of Five, AB01291786-01 has 1 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 AB01291786-01?
The CAS number of AB01291786-01 is 879591-62-5.
What is the molecular formula of AB01291786-01?
The molecular formula of AB01291786-01 is C23H21N3O4.
What is the molecular weight of AB01291786-01?
The molecular weight of AB01291786-01 is 403.15 g/mol.
Where can I buy AB01291786-01?
You can request a quote for AB01291786-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01291786-01?
Yes, KEHONG BIO provides custom synthesis services for AB01291786-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.