TimTec1_003839
TL;DR: TimTec1_003839 (CAS 79834-62-1) is a chemical compound with molecular formula C14H12ClN3O3 and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-7-hydroxy-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Also Known As: TimTec1_003839, VU0464595-1, BRD-K88014525-001-01-5, 6-(4-chlorophenyl)-7-hydroxy-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione, A2863/0120724
| Molecular Formula | C14H12ClN3O3 |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.05673 |
| Heavy Atoms | 21 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 79834-62-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=C2O)C3=CC=C(C=C3)Cl |
| InChIKey | UIQFTNWTHDRGNT-UHFFFAOYSA-N |
Product Overview
TimTec1_003839 (CAS 79834-62-1), with molecular formula C14H12ClN3O3 and molecular weight 305.06 g/mol. IUPAC: 6-(4-chlorophenyl)-7-hydroxy-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
Chemical Property Profile of TimTec1_003839
Property Insights of TimTec1_003839
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_003839. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_003839. Following Lipinski's Rule of Five, TimTec1_003839 has 2 hydrogen bond donor(s) and 3 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 TimTec1_003839?
The CAS number of TimTec1_003839 is 79834-62-1.
What is the molecular formula of TimTec1_003839?
The molecular formula of TimTec1_003839 is C14H12ClN3O3.
What is the molecular weight of TimTec1_003839?
The molecular weight of TimTec1_003839 is 305.06 g/mol.
Where can I buy TimTec1_003839?
You can request a quote for TimTec1_003839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003839?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.