biotin-12-SS-dUTP
TL;DR: biotin-12-SS-dUTP (CAS 97068-12-7) is a chemical compound with molecular formula C27H43N6O17P3S3 and molecular weight 912.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-[2,4-dioxo-5-[(E)-3-[3-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyldisulfanyl]propanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Biotin-12-SS-dutp, [[5-[2,4-dioxo-5-[(E)-3-[3-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyldisulfanyl]propanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(3-((3-((2-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)ethyl)dithio)-1-oxopropyl)amino)-1-propenyl)-, (3aR-(3aalpha,4beta,6aalpha))-
| Molecular Formula | C27H43N6O17P3S3 |
|---|---|
| Molecular Weight | 912.11 g/mol |
| LogP | 0.2712 |
| Topological Polar Surface Area | 343.47 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Exact Mass | 912.10596 |
| Heavy Atoms | 56 |
| Complexity | 1848.7678 |
Chemical Identifiers
| CAS Number | 97068-12-7 |
|---|---|
| SMILES | C1C(C(OC1N2C=C(C(=O)NC2=O)/C=C/CNC(=O)CCSSCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
Product Overview
biotin-12-SS-dUTP (CAS 97068-12-7), with molecular formula C27H43N6O17P3S3 and molecular weight 912.11 g/mol. IUPAC: [[5-[2,4-dioxo-5-[(E)-3-[3-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyldisulfanyl]propanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of biotin-12-SS-dUTP
Property Insights of biotin-12-SS-dUTP
The XLogP value of 0.2712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for biotin-12-SS-dUTP. The TPSA of 343.47 Ų indicates high polarity, suggesting biotin-12-SS-dUTP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, biotin-12-SS-dUTP has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of biotin-12-SS-dUTP?
The CAS number of biotin-12-SS-dUTP is 97068-12-7.
What is the molecular formula of biotin-12-SS-dUTP?
The molecular formula of biotin-12-SS-dUTP is C27H43N6O17P3S3.
What is the molecular weight of biotin-12-SS-dUTP?
The molecular weight of biotin-12-SS-dUTP is 912.11 g/mol.
Where can I buy biotin-12-SS-dUTP?
You can request a quote for biotin-12-SS-dUTP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for biotin-12-SS-dUTP?
Yes, KEHONG BIO provides custom synthesis services for biotin-12-SS-dUTP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.