Adiaft
TL;DR: Adiaft (CAS 142545-11-7) is a chemical compound with molecular formula C10H11IN2O4 and molecular weight 349.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Adiaft
(2R,4R,5R,6R)-4-(hydroxymethyl)-5-iodo-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
Also Known As: Adiaft, 2,2'-Anhydro-1-(3'-deoxy-3'-iodoarabinofuranosyl)thymine, (2R,4R,5R,6R)-4-(hydroxymethyl)-5-iodo-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one, 6H-Furo(2',3':4,5)oxazolo(3,2-a)pyrimidin-6-one, 2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-3-iodo-7-methyl-, (2R-(2alpha,3beta,3abeta,9abeta))-, (2R,3R,3aR,9aR)-2-(Hydroxymethyl)-3-iodo-7-methyl-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-6-one
| Molecular Formula | C10H11IN2O4 |
|---|---|
| Molecular Weight | 349.98 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.97635 |
| Heavy Atoms | 17 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 142545-11-7 |
|---|---|
| SMILES | CC1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)I)OC2=NC1=O |
| InChIKey | DCTFKMFOWOUYPI-JAGXHNFQSA-N |
Product Overview
Adiaft (CAS 142545-11-7), with molecular formula C10H11IN2O4 and molecular weight 349.98 g/mol. IUPAC: (2R,4R,5R,6R)-4-(hydroxymethyl)-5-iodo-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one.
Chemical Property Profile of Adiaft
Property Insights of Adiaft
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adiaft. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Adiaft. Following Lipinski's Rule of Five, Adiaft has 1 hydrogen bond donor(s) and 4 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 Adiaft?
The CAS number of Adiaft is 142545-11-7.
What is the molecular formula of Adiaft?
The molecular formula of Adiaft is C10H11IN2O4.
What is the molecular weight of Adiaft?
The molecular weight of Adiaft is 349.98 g/mol.
Where can I buy Adiaft?
You can request a quote for Adiaft directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adiaft?
Yes, KEHONG BIO provides custom synthesis services for Adiaft and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.