UR97LQ3DH9
TL;DR: UR97LQ3DH9 (CAS 252021-89-9) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,13-dimethyl-12-thia-3,4-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,10-tetraene
Also Known As: J2.016.968K, 1,4,5,6-Tetrahydro-7,9-dimethylthieno(3',4':6,7)cyclohepta(1,2-C)pyrazole, 11,13-Dimethyl-12-thia-3,4-diazatricyclo(8.3.0.0(2,6))trideca-1(13),2,5,10-tetraene, Thieno(3',4':6,7)cyclohepta(1,2-C)pyrazole, 1,4,5,6-tetrahydro-7,9-dimethyl-, 7,9-Dimethyl-1,4,5,6-tetrahydro-1,2-diaza-8-thia-8H-cyclopenta[e]azulene
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 3.24374 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 507.66946 |
Chemical Identifiers
| CAS Number | 252021-89-9 |
|---|---|
| SMILES | CC1=C2CCCC3=C(C2=C(S1)C)NN=C3 |
Product Overview
UR97LQ3DH9 (CAS 252021-89-9), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: 11,13-dimethyl-12-thia-3,4-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,10-tetraene.
Chemical Property Profile of UR97LQ3DH9
Property Insights of UR97LQ3DH9
The XLogP value of 3.24374 indicates that UR97LQ3DH9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, UR97LQ3DH9 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UR97LQ3DH9 has 1 hydrogen bond donor(s) and 2 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 UR97LQ3DH9?
The CAS number of UR97LQ3DH9 is 252021-89-9.
What is the molecular formula of UR97LQ3DH9?
The molecular formula of UR97LQ3DH9 is C12H14N2S.
What is the molecular weight of UR97LQ3DH9?
The molecular weight of UR97LQ3DH9 is 218.09 g/mol.
Where can I buy UR97LQ3DH9?
You can request a quote for UR97LQ3DH9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UR97LQ3DH9?
Yes, KEHONG BIO provides custom synthesis services for UR97LQ3DH9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.