BAS 13030149
TL;DR: BAS 13030149 (CAS 878733-40-5) is a chemical compound with molecular formula C20H22ClN5O3 and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chloro-4-methylphenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13030149, F3124-0578, 6-(3-chloro-4-methylphenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione, 8-(3-chloro-4-methylphenyl)-3-(3-hydroxypropyl)-1,6,7-trimethyl-1,3,5-trihydro -4-imidazolino[1,2-h]purine-2,4-dione, 8-(3-chloro-4-methylphenyl)-3-(3-hydroxypropyl)-1,6,7-trimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C20H22ClN5O3 |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 2.09966 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.1411 |
| Heavy Atoms | 29 |
| Complexity | 1389.8658 |
Chemical Identifiers
| CAS Number | 878733-40-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C)C)Cl |
Product Overview
BAS 13030149 (CAS 878733-40-5), with molecular formula C20H22ClN5O3 and molecular weight 415.14 g/mol. IUPAC: 6-(3-chloro-4-methylphenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13030149
Property Insights of BAS 13030149
The XLogP value of 2.09966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030149. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030149. Following Lipinski's Rule of Five, BAS 13030149 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 BAS 13030149?
The CAS number of BAS 13030149 is 878733-40-5.
What is the molecular formula of BAS 13030149?
The molecular formula of BAS 13030149 is C20H22ClN5O3.
What is the molecular weight of BAS 13030149?
The molecular weight of BAS 13030149 is 415.14 g/mol.
Where can I buy BAS 13030149?
You can request a quote for BAS 13030149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030149?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.