![4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide structure](/static/products/110/110089-50-4.png)
4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide
TL;DR: 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide (CAS 110089-50-4) is a chemical compound with molecular formula C12H15N5O3S and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide
Also Known As: 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide, 4-Amino-7-(2-deoxy-, A-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide, 4-Amino-7-(2-deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide, 4-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide
| Molecular Formula | C12H15N5O3S |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | -0.7116 |
| Topological Polar Surface Area | 132.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.08957 |
| Heavy Atoms | 21 |
| Complexity | 703.50287 |
Chemical Identifiers
| CAS Number | 110089-50-4 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)C(=S)N)CO)O |
Product Overview
4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide (CAS 110089-50-4), with molecular formula C12H15N5O3S and molecular weight 309.09 g/mol. IUPAC: 4-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide.
Chemical Property Profile of 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide
Property Insights of 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide
The XLogP value of -0.7116 indicates that 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide. Following Lipinski's Rule of Five, 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide has 4 hydrogen bond donor(s) and 7 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 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide?
The CAS number of 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide is 110089-50-4.
What is the molecular formula of 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide?
The molecular formula of 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide is C12H15N5O3S.
What is the molecular weight of 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide?
The molecular weight of 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide is 309.09 g/mol.
Where can I buy 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide?
You can request a quote for 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-7-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.