5-Bbau
TL;DR: 5-Bbau (CAS 87919-29-7) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-dione
Also Known As: 5-Bbau, 5-Benzyloxybenzylacyclouridine, BBAU, 5-(benzyloxybenzyl)acyclouridine, 1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 87919-29-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3=CN(C(=O)NC3=O)COCCO |
| InChIKey | CSXNPJKDZKLDET-UHFFFAOYSA-N |
Product Overview
5-Bbau (CAS 87919-29-7), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: 1-(2-hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-Bbau
Property Insights of 5-Bbau
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bbau. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bbau. Following Lipinski's Rule of Five, 5-Bbau has 2 hydrogen bond donor(s) and 5 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 5-Bbau?
The CAS number of 5-Bbau is 87919-29-7.
What is the molecular formula of 5-Bbau?
The molecular formula of 5-Bbau is C21H22N2O5.
What is the molecular weight of 5-Bbau?
The molecular weight of 5-Bbau is 382.15 g/mol.
Where can I buy 5-Bbau?
You can request a quote for 5-Bbau directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bbau?
Yes, KEHONG BIO provides custom synthesis services for 5-Bbau and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.