BAS 06612644
TL;DR: BAS 06612644 (CAS 331966-00-8) is a chemical compound with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NZ)-N-[6-(2-ethylsulfanylpropyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]hydroxylamine
Also Known As: BAS 06612644, (NZ)-N-[6-(2-ethylsulfanylpropyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]hydroxylamine, (Z)-6-(2-(ethylthio)propyl)-3-methyl-6,7-dihydrobenzo[d]isoxazol-4(5H)-one oxime, 6-(2-Ethylsulfanyl-propyl)-3-methyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime, 6-(2-ethylthiopropyl)-4-(hydroxyimino)-3-methyl-5,6,7-trihydrobenzo[2,1-d]isox azole
| Molecular Formula | C13H20N2O2S |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 3.25542 |
| Topological Polar Surface Area | 58.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.12454 |
| Heavy Atoms | 18 |
| Complexity | 442.19968 |
Chemical Identifiers
| CAS Number | 331966-00-8 |
|---|---|
| SMILES | CCSC(C)CC1CC2=C(C(=NO2)C)/C(=N\O)/C1 |
Product Overview
BAS 06612644 (CAS 331966-00-8), with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol. IUPAC: (NZ)-N-[6-(2-ethylsulfanylpropyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]hydroxylamine.
Chemical Property Profile of BAS 06612644
Property Insights of BAS 06612644
The XLogP value of 3.25542 indicates that BAS 06612644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.62 Ų, BAS 06612644 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06612644 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 06612644?
The CAS number of BAS 06612644 is 331966-00-8.
What is the molecular formula of BAS 06612644?
The molecular formula of BAS 06612644 is C13H20N2O2S.
What is the molecular weight of BAS 06612644?
The molecular weight of BAS 06612644 is 268.12 g/mol.
Where can I buy BAS 06612644?
You can request a quote for BAS 06612644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06612644?
Yes, KEHONG BIO provides custom synthesis services for BAS 06612644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.