RefChem:237098
TL;DR: RefChem:237098 (CAS 14320-99-1) is a chemical compound with molecular formula C12H13BN4O2 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-phenyl-1,3-dihydro-[1,3,2]diazaborolo[4,5-d]pyrimidine-5,7-dione
Also Known As: 1H-1,3,2-Diazaborolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 2,3-dihydro-4,6-dimethyl-2-phenyl-, 4,6-Dimethyl-5,7-dioxo-2,3,4,5,6,7-hexahydro-2-phenyl-1H-1,3,2-diazaborolo(4,5-d)pyrimidine, 4,6-dimethyl-2-phenyl-1,3-dihydro-[1,3,2]diazaborolo[4,5-d]pyrimidine-5,7-dione, 4,6-Dimethyl-2-phenyl-2,3-dihydro-1H-[1,3,2]diazaborolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, BRN 0549213
| Molecular Formula | C12H13BN4O2 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | -0.6832 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.11316 |
| Heavy Atoms | 19 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 14320-99-1 |
|---|---|
| SMILES | B1(NC2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC=CC=C3 |
| InChIKey | QDJDRRPPPKIRLE-UHFFFAOYSA-N |
Product Overview
RefChem:237098 (CAS 14320-99-1), with molecular formula C12H13BN4O2 and molecular weight 256.11 g/mol. IUPAC: 4,6-dimethyl-2-phenyl-1,3-dihydro-[1,3,2]diazaborolo[4,5-d]pyrimidine-5,7-dione.
Chemical Property Profile of RefChem:237098
Property Insights of RefChem:237098
The XLogP value of -0.6832 indicates that RefChem:237098 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:237098. Following Lipinski's Rule of Five, RefChem:237098 has 2 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 RefChem:237098?
The CAS number of RefChem:237098 is 14320-99-1.
What is the molecular formula of RefChem:237098?
The molecular formula of RefChem:237098 is C12H13BN4O2.
What is the molecular weight of RefChem:237098?
The molecular weight of RefChem:237098 is 256.11 g/mol.
Where can I buy RefChem:237098?
You can request a quote for RefChem:237098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237098?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.