Nnc-21-0136
TL;DR: Nnc-21-0136 (CAS 162684-35-7) is a chemical compound with molecular formula C20H21ClN6O4S2 and molecular weight 508.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[6-[[(2R)-1-(1,3-benzothiazol-2-ylsulfanyl)propan-2-yl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: NNC-21-0136, N-((1R)-2-(2-Benzothiazolylthio)-1-methylethyl)-2-chloroadenosine, 2-Chloro-N6-(2-(2-benzothiazolylsulfanyl)-1(R)-methylethyl)adenosine, Adenosine, N-((1R)-2-(2-benzothiazolylthio)-1-methylethyl)-2-chloro-, Adenosine, N-(2-(2-benzothiazolylthio)-1-methylethyl)-2-chloro-, (R)-
| Molecular Formula | C20H21ClN6O4S2 |
|---|---|
| Molecular Weight | 508.08 g/mol |
| LogP | 2.2936 |
| Topological Polar Surface Area | 138.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.0754 |
| Heavy Atoms | 33 |
| Complexity | 1253.1525 |
Chemical Identifiers
| CAS Number | 162684-35-7 |
|---|---|
| SMILES | C[C@H](CSC1=NC2=CC=CC=C2S1)NC3=C4C(=NC(=N3)Cl)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O |
Product Overview
Nnc-21-0136 (CAS 162684-35-7), with molecular formula C20H21ClN6O4S2 and molecular weight 508.08 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-[[(2R)-1-(1,3-benzothiazol-2-ylsulfanyl)propan-2-yl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of Nnc-21-0136
Property Insights of Nnc-21-0136
The XLogP value of 2.2936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nnc-21-0136. The TPSA of 138.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Nnc-21-0136. Following Lipinski's Rule of Five, Nnc-21-0136 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nnc-21-0136?
The CAS number of Nnc-21-0136 is 162684-35-7.
What is the molecular formula of Nnc-21-0136?
The molecular formula of Nnc-21-0136 is C20H21ClN6O4S2.
What is the molecular weight of Nnc-21-0136?
The molecular weight of Nnc-21-0136 is 508.08 g/mol.
Where can I buy Nnc-21-0136?
You can request a quote for Nnc-21-0136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nnc-21-0136?
Yes, KEHONG BIO provides custom synthesis services for Nnc-21-0136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.