A3003/0126486
TL;DR: A3003/0126486 (CAS 682761-96-2) is a chemical compound with molecular formula C27H32N6O2 and molecular weight 472.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(1-adamantylamino)ethyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
Also Known As: A3003/0126486, 6-[2-(1-adamantylamino)ethyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione, 1,3-dimethyl-7-phenyl-8-[2-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(2-((3s,5s,7s)-adamantan-1-ylamino)ethyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-{2-[(ADAMANTAN-1-YL)AMINO]ETHYL}-1,3-DIMETHYL-7-PHENYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE
| Molecular Formula | C27H32N6O2 |
|---|---|
| Molecular Weight | 472.26 g/mol |
| LogP | 2.9118 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.25867 |
| Heavy Atoms | 35 |
| Complexity | 1535.4437 |
Chemical Identifiers
| CAS Number | 682761-96-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCNC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7 |
Product Overview
A3003/0126486 (CAS 682761-96-2), with molecular formula C27H32N6O2 and molecular weight 472.26 g/mol. IUPAC: 6-[2-(1-adamantylamino)ethyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A3003/0126486
Property Insights of A3003/0126486
The XLogP value of 2.9118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3003/0126486. The TPSA of 78.26 Ų falls within the moderate polarity range, balancing permeability and solubility for A3003/0126486. Following Lipinski's Rule of Five, A3003/0126486 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 A3003/0126486?
The CAS number of A3003/0126486 is 682761-96-2.
What is the molecular formula of A3003/0126486?
The molecular formula of A3003/0126486 is C27H32N6O2.
What is the molecular weight of A3003/0126486?
The molecular weight of A3003/0126486 is 472.26 g/mol.
Where can I buy A3003/0126486?
You can request a quote for A3003/0126486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3003/0126486?
Yes, KEHONG BIO provides custom synthesis services for A3003/0126486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.