BAS 00212567
TL;DR: BAS 00212567 (CAS 67914-85-6) is a chemical compound with molecular formula C13H13Cl2N3O3 and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
Also Known As: BAS 00212567, J3.269.544B, [2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol, [2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol, [2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol
| Molecular Formula | C13H13Cl2N3O3 |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | 1.8456 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.0334 |
| Heavy Atoms | 21 |
| Complexity | 623.12897 |
Chemical Identifiers
| CAS Number | 67914-85-6 |
|---|---|
| SMILES | C1C(OC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)CO |
Product Overview
BAS 00212567 (CAS 67914-85-6), with molecular formula C13H13Cl2N3O3 and molecular weight 329.03 g/mol. IUPAC: [2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol.
Chemical Property Profile of BAS 00212567
Property Insights of BAS 00212567
The XLogP value of 1.8456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00212567. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00212567. Following Lipinski's Rule of Five, BAS 00212567 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 BAS 00212567?
The CAS number of BAS 00212567 is 67914-85-6.
What is the molecular formula of BAS 00212567?
The molecular formula of BAS 00212567 is C13H13Cl2N3O3.
What is the molecular weight of BAS 00212567?
The molecular weight of BAS 00212567 is 329.03 g/mol.
Where can I buy BAS 00212567?
You can request a quote for BAS 00212567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00212567?
Yes, KEHONG BIO provides custom synthesis services for BAS 00212567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.