3'-Hydroxymethyl Ara-5-Br-vinyl-U
TL;DR: 3'-Hydroxymethyl Ara-5-Br-vinyl-U (CAS 130351-63-2) is a chemical compound with molecular formula C12H15BrN2O6 and molecular weight 362.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-bromoethenyl]-1-[(2R,3S,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 3'-Hydroxymethyl Ara-5-Br-vinyl-U, 2,4(1H,3H)-Pyrimidinedione, 5-(2-bromoethenyl)-1-(3-deoxy-3-(hydroxymethyl)-beta-D-arabinofuranosyl)-, (E)-, (E)-5-(2-Bromovinyl)-1-(3-deoxy-3-C-(hydroxymethyl)-beta-D-arabino-pentofuranosyl uracil, 1-(3-Deoxy-3-hydroxymethyl-beta-D-arabinofuranosyl)-5-[(E)-2-bromoethenyl]uracil, (E)-5-(2-Bromovinyl)-1-[3-deoxy-3-C-(hydroxymethyl)-.beta.-D-arabino-pentofuranosyl uracil
| Molecular Formula | C12H15BrN2O6 |
|---|---|
| Molecular Weight | 362.01 g/mol |
| LogP | -1.2387 |
| Topological Polar Surface Area | 124.78 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.01135 |
| Heavy Atoms | 21 |
| Complexity | 639.3702 |
Chemical Identifiers
| CAS Number | 130351-63-2 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)CO)O)/C=C/Br |
Product Overview
3'-Hydroxymethyl Ara-5-Br-vinyl-U (CAS 130351-63-2), with molecular formula C12H15BrN2O6 and molecular weight 362.01 g/mol. IUPAC: 5-[(E)-2-bromoethenyl]-1-[(2R,3S,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 3'-Hydroxymethyl Ara-5-Br-vinyl-U
Property Insights of 3'-Hydroxymethyl Ara-5-Br-vinyl-U
The XLogP value of -1.2387 indicates that 3'-Hydroxymethyl Ara-5-Br-vinyl-U is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Hydroxymethyl Ara-5-Br-vinyl-U. Following Lipinski's Rule of Five, 3'-Hydroxymethyl Ara-5-Br-vinyl-U has 4 hydrogen bond donor(s) and 6 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 3'-Hydroxymethyl Ara-5-Br-vinyl-U?
The CAS number of 3'-Hydroxymethyl Ara-5-Br-vinyl-U is 130351-63-2.
What is the molecular formula of 3'-Hydroxymethyl Ara-5-Br-vinyl-U?
The molecular formula of 3'-Hydroxymethyl Ara-5-Br-vinyl-U is C12H15BrN2O6.
What is the molecular weight of 3'-Hydroxymethyl Ara-5-Br-vinyl-U?
The molecular weight of 3'-Hydroxymethyl Ara-5-Br-vinyl-U is 362.01 g/mol.
Where can I buy 3'-Hydroxymethyl Ara-5-Br-vinyl-U?
You can request a quote for 3'-Hydroxymethyl Ara-5-Br-vinyl-U directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Hydroxymethyl Ara-5-Br-vinyl-U?
Yes, KEHONG BIO provides custom synthesis services for 3'-Hydroxymethyl Ara-5-Br-vinyl-U and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.