dA-Aai
TL;DR: dA-Aai (CAS 127191-86-0) is a chemical compound with molecular formula C27H22N6O7 and molecular weight 542.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dA-Aai
12-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]imino-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1,6,8,11(19),13(18),14,16-heptaen-9-ol
Also Known As: dA-Aai, Aristolactam I, 7-(Deoxyadenosin-N(6)-yl)aristolactam I, 7-(2'-Deoxyadenosin-N-yl)aristolactamI, 7-(2'-Deoxyadenosin-N6-yl)aristolactam I
| Molecular Formula | C27H22N6O7 |
|---|---|
| Molecular Weight | 542.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 542.15497 |
| Heavy Atoms | 40 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 127191-86-0 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=NC3=C4C(=NC=N3)N(C=N4)C5CC(C(O5)CO)O)C6=C7C2=C8C(=CC7=C(N6)O)OCO8 |
| InChIKey | UJUDOVXXLPFCGM-UHFFFAOYSA-N |
Product Overview
dA-Aai (CAS 127191-86-0), with molecular formula C27H22N6O7 and molecular weight 542.15 g/mol. IUPAC: 12-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]imino-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1,6,8,11(19),13(18),14,16-heptaen-9-ol.
Chemical Property Profile of dA-Aai
Property Insights of dA-Aai
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dA-Aai. The TPSA of 169.0 Ų indicates high polarity, suggesting dA-Aai may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dA-Aai 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 dA-Aai?
The CAS number of dA-Aai is 127191-86-0.
What is the molecular formula of dA-Aai?
The molecular formula of dA-Aai is C27H22N6O7.
What is the molecular weight of dA-Aai?
The molecular weight of dA-Aai is 542.15 g/mol.
Where can I buy dA-Aai?
You can request a quote for dA-Aai directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dA-Aai?
Yes, KEHONG BIO provides custom synthesis services for dA-Aai and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.