TI 79
TL;DR: TI 79 (CAS 137103-31-2) is a chemical compound with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrido[2,3-d]pyrimidine-2,4-dione
Also Known As: TI 79, 3-benzyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrido[2,3-d]pyrimidine-2,4-dione, 3-Benzyl-5-methyl-3-(beta-ribofuranosyl)pyrido(2,3-d)pyrimidine-2,4(1H,3H)dione, Pyrido(2,3-d)pyrimidine-2,4(1H,3H)-dione, 5-methyl-3-(phenylmethyl)-1-beta-D-ribofuranosyl-, 3-Benzyl-5-methyl-1-beta-D-ribofuranosylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C20H21N3O6 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.14304 |
| Heavy Atoms | 29 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 137103-31-2 |
|---|---|
| SMILES | CC1=C2C(=NC=C1)N(C(=O)N(C2=O)CC3=CC=CC=C3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
| InChIKey | QEXOXVQSTPLAMK-NVQRDWNXSA-N |
Product Overview
TI 79 (CAS 137103-31-2), with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol. IUPAC: 3-benzyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrido[2,3-d]pyrimidine-2,4-dione.
Chemical Property Profile of TI 79
Property Insights of TI 79
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TI 79. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TI 79. Following Lipinski's Rule of Five, TI 79 has 3 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 TI 79?
The CAS number of TI 79 is 137103-31-2.
What is the molecular formula of TI 79?
The molecular formula of TI 79 is C20H21N3O6.
What is the molecular weight of TI 79?
The molecular weight of TI 79 is 399.14 g/mol.
Where can I buy TI 79?
You can request a quote for TI 79 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TI 79?
Yes, KEHONG BIO provides custom synthesis services for TI 79 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.