1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol
TL;DR: 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol (CAS 80791-94-2) is a chemical compound with molecular formula C9H11ClIN3O4 and molecular weight 386.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Also Known As: 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol, 4-amino-1-[3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one, 2(1H)-Pyrimidinone, 1-(2-chloro-2-deoxy-beta-L-ribofuranosyl)-3,4-dihydro-4-imino-5-iodo-
| Molecular Formula | C9H11ClIN3O4 |
|---|---|
| Molecular Weight | 386.95 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.94827 |
| Heavy Atoms | 18 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 80791-94-2 |
|---|---|
| SMILES | C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)Cl)N)I |
| InChIKey | XHGDZEOKQCXKNX-UHFFFAOYSA-N |
Product Overview
1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol (CAS 80791-94-2), with molecular formula C9H11ClIN3O4 and molecular weight 386.95 g/mol. IUPAC: 4-amino-1-[3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one.
Chemical Property Profile of 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol
Property Insights of 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol
The XLogP value of -0.4 indicates that 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol. Following Lipinski's Rule of Five, 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol has 3 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 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol?
The CAS number of 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol is 80791-94-2.
What is the molecular formula of 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol?
The molecular formula of 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol is C9H11ClIN3O4.
What is the molecular weight of 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol?
The molecular weight of 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol is 386.95 g/mol.
Where can I buy 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol?
You can request a quote for 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-2-deoxypentofuranosyl)-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.