BAS 02999197
TL;DR: BAS 02999197 (CAS 4627-03-6) is a chemical compound with molecular formula C23H31N5O5 and molecular weight 457.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 02999197, 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione, 8-(cyclohexylamino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C23H31N5O5 |
|---|---|
| Molecular Weight | 457.23 g/mol |
| LogP | 1.6268 |
| Topological Polar Surface Area | 112.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.2325 |
| Heavy Atoms | 33 |
| Complexity | 1221.2435 |
Chemical Identifiers
| CAS Number | 4627-03-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC(COC4=CC=C(C=C4)OC)O |
Product Overview
BAS 02999197 (CAS 4627-03-6), with molecular formula C23H31N5O5 and molecular weight 457.23 g/mol. IUPAC: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 02999197
Property Insights of BAS 02999197
The XLogP value of 1.6268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02999197. The TPSA of 112.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02999197. Following Lipinski's Rule of Five, BAS 02999197 has 2 hydrogen bond donor(s) and 7 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 BAS 02999197?
The CAS number of BAS 02999197 is 4627-03-6.
What is the molecular formula of BAS 02999197?
The molecular formula of BAS 02999197 is C23H31N5O5.
What is the molecular weight of BAS 02999197?
The molecular weight of BAS 02999197 is 457.23 g/mol.
Where can I buy BAS 02999197?
You can request a quote for BAS 02999197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02999197?
Yes, KEHONG BIO provides custom synthesis services for BAS 02999197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.