Ditc-apec
TL;DR: Ditc-apec (CAS 129666-43-9) is a chemical compound with molecular formula C33H39N11O5S2 and molecular weight 733.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-5-[6-amino-2-[2-[4-[3-[2-[(4-isothiocyanatophenyl)carbamothioylamino]ethylamino]-3-oxopropyl]phenyl]ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Also Known As: Ditc-apec, 4-Isothiocyanatophenylaminothiocarbonyl-2-((2-aminoethylaminocarbonylethyl)phenylethylamino)-5'-N-ethylcarboxamidoadenosine, (2S,3S,4R,5R)-5-[6-amino-2-[2-[4-[3-[2-[(4-isothiocyanatophenyl)carbamothioylamino]ethylamino]-3-oxopropyl]phenyl]ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide, (2S,3S,4R,5R)-5-(6-amino-2-{[2-(4-{2-[(2-{[(4-isothiocyanatophenyl)carbamothioyl]amino}ethyl)carbamoyl]ethyl}phenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide, (2S,3S,4R,5R)-5-(6-Amino-2-{[2-(4-{3-[(2-{[(4-isothiocyanatophenyl)carbamothioyl]amino}ethyl)amino]-3-oxopropyl}phenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
| Molecular Formula | C33H39N11O5S2 |
|---|---|
| Molecular Weight | 733.26 g/mol |
| LogP | 1.5881 |
| Topological Polar Surface Area | 225.96 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Exact Mass | 733.2577 |
| Heavy Atoms | 51 |
| Complexity | 1884.5696 |
Chemical Identifiers
| CAS Number | 129666-43-9 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)NCCNC(=S)NC5=CC=C(C=C5)N=C=S)N)O)O |
Product Overview
Ditc-apec (CAS 129666-43-9), with molecular formula C33H39N11O5S2 and molecular weight 733.26 g/mol. IUPAC: (2S,3S,4R,5R)-5-[6-amino-2-[2-[4-[3-[2-[(4-isothiocyanatophenyl)carbamothioylamino]ethylamino]-3-oxopropyl]phenyl]ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide.
Chemical Property Profile of Ditc-apec
Property Insights of Ditc-apec
The XLogP value of 1.5881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ditc-apec. The TPSA of 225.96 Ų indicates high polarity, suggesting Ditc-apec may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ditc-apec has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ditc-apec?
The CAS number of Ditc-apec is 129666-43-9.
What is the molecular formula of Ditc-apec?
The molecular formula of Ditc-apec is C33H39N11O5S2.
What is the molecular weight of Ditc-apec?
The molecular weight of Ditc-apec is 733.26 g/mol.
Where can I buy Ditc-apec?
You can request a quote for Ditc-apec directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditc-apec?
Yes, KEHONG BIO provides custom synthesis services for Ditc-apec and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.