3,N4-Ethano-2'-deoxycytidine
TL;DR: 3,N4-Ethano-2'-deoxycytidine (CAS 76495-80-2) is a chemical compound with molecular formula C11H15N3O4 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
Also Known As: 3,N4-Ethano-2'-deoxycytidine, 3,n4-ethanodeoxycytidine, Ligustrazine hydrochloride, 3,N4-Etheno-2 -deoxycytidine, 6-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5(6H)-one
| Molecular Formula | C11H15N3O4 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.10626 |
| Heavy Atoms | 18 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 76495-80-2 |
|---|---|
| SMILES | C1CN2C(=N1)C=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)CO)O |
| InChIKey | KWPGIQIGXCZEFG-QXFUBDJGSA-N |
Product Overview
3,N4-Ethano-2'-deoxycytidine (CAS 76495-80-2), with molecular formula C11H15N3O4 and molecular weight 253.11 g/mol. IUPAC: 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one.
Chemical Property Profile of 3,N4-Ethano-2'-deoxycytidine
Property Insights of 3,N4-Ethano-2'-deoxycytidine
The XLogP value of -1.5 indicates that 3,N4-Ethano-2'-deoxycytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,N4-Ethano-2'-deoxycytidine. Following Lipinski's Rule of Five, 3,N4-Ethano-2'-deoxycytidine 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 3,N4-Ethano-2'-deoxycytidine?
The CAS number of 3,N4-Ethano-2'-deoxycytidine is 76495-80-2.
What is the molecular formula of 3,N4-Ethano-2'-deoxycytidine?
The molecular formula of 3,N4-Ethano-2'-deoxycytidine is C11H15N3O4.
What is the molecular weight of 3,N4-Ethano-2'-deoxycytidine?
The molecular weight of 3,N4-Ethano-2'-deoxycytidine is 253.11 g/mol.
Where can I buy 3,N4-Ethano-2'-deoxycytidine?
You can request a quote for 3,N4-Ethano-2'-deoxycytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,N4-Ethano-2'-deoxycytidine?
Yes, KEHONG BIO provides custom synthesis services for 3,N4-Ethano-2'-deoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.