ddSan
TL;DR: ddSan (CAS 115044-82-1) is a chemical compound with molecular formula C12H15N5O3 and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Also Known As: ddSan, 7-Deaza-7-carboxamide-2',3'-dideoxyadenosine, 7-Carbamoyl-7-carba-2 ,3 -dideoxyadenosine, 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-(tetrahydro-5-(hydroxymethyl)-2-furanyl)-, (2R-cis)-, 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
| Molecular Formula | C12H15N5O3 |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.1175 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 115044-82-1 |
|---|---|
| SMILES | C1C[C@@H](O[C@@H]1CO)N2C=C(C3=C(N=CN=C32)N)C(=O)N |
| InChIKey | LUXJLFMVHQURFG-POYBYMJQSA-N |
Product Overview
ddSan (CAS 115044-82-1), with molecular formula C12H15N5O3 and molecular weight 277.12 g/mol. IUPAC: 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.
Chemical Property Profile of ddSan
Property Insights of ddSan
The XLogP value of -1.1 indicates that ddSan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ddSan. Following Lipinski's Rule of Five, ddSan has 3 hydrogen bond donor(s) and 6 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 ddSan?
The CAS number of ddSan is 115044-82-1.
What is the molecular formula of ddSan?
The molecular formula of ddSan is C12H15N5O3.
What is the molecular weight of ddSan?
The molecular weight of ddSan is 277.12 g/mol.
Where can I buy ddSan?
You can request a quote for ddSan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ddSan?
Yes, KEHONG BIO provides custom synthesis services for ddSan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.