DivK1c_005693
TL;DR: DivK1c_005693 (CAS 307327-62-4) is a chemical compound with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: DivK1c_005693, CDS1_004653, 2-[[5-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid, {[5-(4-tert-butylphenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, (5-(4-TERT-BUTYL-PH)-4-(2-ME-ALLYL)-4H-(1,2,4)TRIAZOL-3-YLSULFANYL)-ACETIC ACID
| Molecular Formula | C18H23N3O2S |
|---|---|
| Molecular Weight | 345.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.1511 |
| Heavy Atoms | 24 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 307327-62-4 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)C(C)(C)C |
| InChIKey | IDBSJLFIKYBBRP-UHFFFAOYSA-N |
Product Overview
DivK1c_005693 (CAS 307327-62-4), with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of DivK1c_005693
Property Insights of DivK1c_005693
The XLogP value of 4.6 indicates that DivK1c_005693 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005693. Following Lipinski's Rule of Five, DivK1c_005693 has 1 hydrogen bond donor(s) and 5 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 DivK1c_005693?
The CAS number of DivK1c_005693 is 307327-62-4.
What is the molecular formula of DivK1c_005693?
The molecular formula of DivK1c_005693 is C18H23N3O2S.
What is the molecular weight of DivK1c_005693?
The molecular weight of DivK1c_005693 is 345.15 g/mol.
Where can I buy DivK1c_005693?
You can request a quote for DivK1c_005693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005693?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.