ara-CDP-DL-PTBA
TL;DR: ara-CDP-DL-PTBA (CAS 103612-80-2) is a chemical compound with molecular formula C46H87N3O13P2S and molecular weight 983.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-octadecylsulfanylpropan-2-yl] hexadecanoate
Also Known As: Cytoros, ara-CDP-DL-PTBA, 33875-EP2275420A1, 33875-EP2295055A2, 33875-EP2295416A2
| Molecular Formula | C46H87N3O13P2S |
|---|---|
| Molecular Weight | 983.54 g/mol |
| LogP | 11.0831 |
| Topological Polar Surface Area | 239.19 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 43 |
| Exact Mass | 983.54346 |
| Heavy Atoms | 65 |
| Complexity | 1528.6677 |
Chemical Identifiers
| CAS Number | 103612-80-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCC |
Product Overview
ara-CDP-DL-PTBA (CAS 103612-80-2), with molecular formula C46H87N3O13P2S and molecular weight 983.54 g/mol. IUPAC: [1-[[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-octadecylsulfanylpropan-2-yl] hexadecanoate.
Chemical Property Profile of ara-CDP-DL-PTBA
Property Insights of ara-CDP-DL-PTBA
The XLogP value of 11.0831 indicates that ara-CDP-DL-PTBA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 239.19 Ų indicates high polarity, suggesting ara-CDP-DL-PTBA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ara-CDP-DL-PTBA has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ara-CDP-DL-PTBA?
The CAS number of ara-CDP-DL-PTBA is 103612-80-2.
What is the molecular formula of ara-CDP-DL-PTBA?
The molecular formula of ara-CDP-DL-PTBA is C46H87N3O13P2S.
What is the molecular weight of ara-CDP-DL-PTBA?
The molecular weight of ara-CDP-DL-PTBA is 983.54 g/mol.
Where can I buy ara-CDP-DL-PTBA?
You can request a quote for ara-CDP-DL-PTBA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ara-CDP-DL-PTBA?
Yes, KEHONG BIO provides custom synthesis services for ara-CDP-DL-PTBA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.