Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine
TL;DR: Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine (CAS 95313-04-5) is a chemical compound with molecular formula C12H16BrN3O3 and molecular weight 329.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-[(E)-2-bromoethenyl]-1-[(3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Also Known As: Carbocyclic bvdc, Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine, 1-((3-Hydroxy)-4-(hydroxymethyl)cyclopentyl)-4-amino-5-(2-bromovinyl)-2(1H)-pyrimidinone, 4-amino-5-[(E)-2-bromoethenyl]-1-[(3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one, (1alpha(E),3beta,4alpha)-(+-)-4-Amino-5-(2-bromoethenyl)-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-2(1H)-pyrimidinone
| Molecular Formula | C12H16BrN3O3 |
|---|---|
| Molecular Weight | 329.04 g/mol |
| LogP | 0.4954 |
| Topological Polar Surface Area | 101.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.0375 |
| Heavy Atoms | 19 |
| Complexity | 543.5114 |
Chemical Identifiers
| CAS Number | 95313-04-5 |
|---|---|
| SMILES | C1[C@H]([C@@H](CC1N2C=C(C(=NC2=O)N)/C=C/Br)O)CO |
Product Overview
Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine (CAS 95313-04-5), with molecular formula C12H16BrN3O3 and molecular weight 329.04 g/mol. IUPAC: 4-amino-5-[(E)-2-bromoethenyl]-1-[(3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one.
Chemical Property Profile of Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine
Property Insights of Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine
The XLogP value of 0.4954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine. The TPSA of 101.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine. Following Lipinski's Rule of Five, Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine has 3 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 Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine?
The CAS number of Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine is 95313-04-5.
What is the molecular formula of Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine?
The molecular formula of Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine is C12H16BrN3O3.
What is the molecular weight of Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine?
The molecular weight of Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine is 329.04 g/mol.
Where can I buy Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine?
You can request a quote for Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine?
Yes, KEHONG BIO provides custom synthesis services for Carbocyclic 5-(2-bromovinyl)-2'-deoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.