D4San
TL;DR: D4San (CAS 115044-80-9) is a chemical compound with molecular formula C12H13N5O3 and molecular weight 275.10 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)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Also Known As: D4San, 7-Deaza-7-carboxamide-2',3'-didehydrodideoxyadenosine, 1,3,5-trinitro-1,3,5-triazacyclohexan-2-one, 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-(2,5-dihydro-5-(hydroxymethyl)-2-furanyl)-, (2R-cis)-, 4-amino-7-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
| Molecular Formula | C12H13N5O3 |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.10184 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 115044-80-9 |
|---|---|
| SMILES | C1=C[C@@H](O[C@@H]1CO)N2C=C(C3=C(N=CN=C32)N)C(=O)N |
| InChIKey | CRSJTDZHYFSBQM-POYBYMJQSA-N |
Product Overview
D4San (CAS 115044-80-9), with molecular formula C12H13N5O3 and molecular weight 275.10 g/mol. IUPAC: 4-amino-7-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.
Chemical Property Profile of D4San
Property Insights of D4San
The XLogP value of -1.2 indicates that D4San 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 D4San. Following Lipinski's Rule of Five, D4San 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 D4San?
The CAS number of D4San is 115044-80-9.
What is the molecular formula of D4San?
The molecular formula of D4San is C12H13N5O3.
What is the molecular weight of D4San?
The molecular weight of D4San is 275.10 g/mol.
Where can I buy D4San?
You can request a quote for D4San directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D4San?
Yes, KEHONG BIO provides custom synthesis services for D4San and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.