BAS 07020706
TL;DR: BAS 07020706 (CAS 700858-72-6) is a chemical compound with molecular formula C17H24ClN5O3S and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-[2-chloro-6-methoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide
Also Known As: BAS 07020706, J2.952.798I, AN-465/41990249, N-tert-butyl-2-[2-chloro-6-methoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide, N-tert-Butyl-2-[2-methoxy-4-[(3-mercapto-5-methyl-4H-1,2,4-triazole-4-ylamino)methyl]-6-chlorophenoxy]acetamide
| Molecular Formula | C17H24ClN5O3S |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 2.94831 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.12885 |
| Heavy Atoms | 27 |
| Complexity | 872.42944 |
Chemical Identifiers
| CAS Number | 700858-72-6 |
|---|---|
| SMILES | CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Cl)OCC(=O)NC(C)(C)C)OC |
Product Overview
BAS 07020706 (CAS 700858-72-6), with molecular formula C17H24ClN5O3S and molecular weight 413.13 g/mol. IUPAC: N-tert-butyl-2-[2-chloro-6-methoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide.
Chemical Property Profile of BAS 07020706
Property Insights of BAS 07020706
The XLogP value of 2.94831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07020706. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07020706. Following Lipinski's Rule of Five, BAS 07020706 has 3 hydrogen bond donor(s) and 6 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 07020706?
The CAS number of BAS 07020706 is 700858-72-6.
What is the molecular formula of BAS 07020706?
The molecular formula of BAS 07020706 is C17H24ClN5O3S.
What is the molecular weight of BAS 07020706?
The molecular weight of BAS 07020706 is 413.13 g/mol.
Where can I buy BAS 07020706?
You can request a quote for BAS 07020706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07020706?
Yes, KEHONG BIO provides custom synthesis services for BAS 07020706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.