3'-Deoxy-3'-pyrrolthymidine
TL;DR: 3'-Deoxy-3'-pyrrolthymidine (CAS 124355-24-4) is a chemical compound with molecular formula C14H17N3O4 and molecular weight 291.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-pyrrol-1-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-pyrrol-dT, 3'-Deoxy-3'-pyrrolthymidine, 3'-Deoxy-3'-(1H-pyrrol-1-yl)thymidine, Thymidine,3'-deoxy-3'-(1H-pyrrol-1-yl)- (9CI), 1-[3-(1H-Pyrrol-1-yl)-2,3-dideoxy-beta-D-erythro-pentofuranosyl]thymine
| Molecular Formula | C14H17N3O4 |
|---|---|
| Molecular Weight | 291.12 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.12192 |
| Heavy Atoms | 21 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 124355-24-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C=CC=C3 |
| InChIKey | SGHAPKYTEJEBPH-QJPTWQEYSA-N |
Product Overview
3'-Deoxy-3'-pyrrolthymidine (CAS 124355-24-4), with molecular formula C14H17N3O4 and molecular weight 291.12 g/mol. IUPAC: 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-pyrrol-1-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 3'-Deoxy-3'-pyrrolthymidine
Property Insights of 3'-Deoxy-3'-pyrrolthymidine
The XLogP value of -0.5 indicates that 3'-Deoxy-3'-pyrrolthymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Deoxy-3'-pyrrolthymidine. Following Lipinski's Rule of Five, 3'-Deoxy-3'-pyrrolthymidine has 2 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 3'-Deoxy-3'-pyrrolthymidine?
The CAS number of 3'-Deoxy-3'-pyrrolthymidine is 124355-24-4.
What is the molecular formula of 3'-Deoxy-3'-pyrrolthymidine?
The molecular formula of 3'-Deoxy-3'-pyrrolthymidine is C14H17N3O4.
What is the molecular weight of 3'-Deoxy-3'-pyrrolthymidine?
The molecular weight of 3'-Deoxy-3'-pyrrolthymidine is 291.12 g/mol.
Where can I buy 3'-Deoxy-3'-pyrrolthymidine?
You can request a quote for 3'-Deoxy-3'-pyrrolthymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Deoxy-3'-pyrrolthymidine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Deoxy-3'-pyrrolthymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.