Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)-
TL;DR: Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)- (CAS 111189-86-7) is a chemical compound with molecular formula C13H16BrN5O5 and molecular weight 401.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
Also Known As: Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)-, (6S,7R)-7-Bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one, (6S,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
| Molecular Formula | C13H16BrN5O5 |
|---|---|
| Molecular Weight | 401.03 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.03348 |
| Heavy Atoms | 24 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 111189-86-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C4N[C@H]([C@@H](CN4C3=O)Br)O)CO)O |
| InChIKey | DBHDGKBHUAWSDZ-IUKDSNFXSA-N |
Product Overview
Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)- (CAS 111189-86-7), with molecular formula C13H16BrN5O5 and molecular weight 401.03 g/mol. IUPAC: (6S,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one.
Chemical Property Profile of Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)-
Property Insights of Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)-
The XLogP value of -1.1 indicates that Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)-. Following Lipinski's Rule of Five, Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)- has 4 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 Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)-?
The CAS number of Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)- is 111189-86-7.
What is the molecular formula of Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)-?
The molecular formula of Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)- is C13H16BrN5O5.
What is the molecular weight of Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)-?
The molecular weight of Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)- is 401.03 g/mol.
Where can I buy Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)-?
You can request a quote for Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.