BAS 00688512
TL;DR: BAS 00688512 (CAS 330453-33-3) is a chemical compound with molecular formula C13H12Cl2N2O and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]hydroxylamine
Also Known As: BAS 00688512, (NE)-N-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]hydroxylamine, (E)-1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde oxime, [1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl](hydroxyimino)methane, 1-(3,4-Dichloro-phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde oxime
| Molecular Formula | C13H12Cl2N2O |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 4.20904 |
| Topological Polar Surface Area | 37.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.03265 |
| Heavy Atoms | 18 |
| Complexity | 617.6941 |
Chemical Identifiers
| CAS Number | 330453-33-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)/C=N/O |
Product Overview
BAS 00688512 (CAS 330453-33-3), with molecular formula C13H12Cl2N2O and molecular weight 282.03 g/mol. IUPAC: (NE)-N-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]hydroxylamine.
Chemical Property Profile of BAS 00688512
Property Insights of BAS 00688512
The XLogP value of 4.20904 indicates that BAS 00688512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.52 Ų, BAS 00688512 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00688512 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 BAS 00688512?
The CAS number of BAS 00688512 is 330453-33-3.
What is the molecular formula of BAS 00688512?
The molecular formula of BAS 00688512 is C13H12Cl2N2O.
What is the molecular weight of BAS 00688512?
The molecular weight of BAS 00688512 is 282.03 g/mol.
Where can I buy BAS 00688512?
You can request a quote for BAS 00688512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00688512?
Yes, KEHONG BIO provides custom synthesis services for BAS 00688512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.