BAS 00335633
TL;DR: BAS 00335633 (CAS 331463-59-3) is a chemical compound with molecular formula C21H25NO4 and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyliminomethyl]phenol
Also Known As: BAS 00335633, (E)-4-((((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)imino)methyl)phenol, 4-[(E)-({[4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}imino)methyl]phenol, 4-[[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]methylidene]cyclohexa-2,5-dien-1-one, 4-{[4-(3,4-Dimethoxy-phenyl)-tetrahydro-pyran-4-ylmethylimino]-methyl}-phenol
| Molecular Formula | C21H25NO4 |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 3.5767 |
| Topological Polar Surface Area | 60.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.17834 |
| Heavy Atoms | 26 |
| Complexity | 749.10645 |
Chemical Identifiers
| CAS Number | 331463-59-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(CCOCC2)CN=CC3=CC=C(C=C3)O)OC |
Product Overview
BAS 00335633 (CAS 331463-59-3), with molecular formula C21H25NO4 and molecular weight 355.18 g/mol. IUPAC: 4-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyliminomethyl]phenol.
Chemical Property Profile of BAS 00335633
Property Insights of BAS 00335633
The XLogP value of 3.5767 indicates that BAS 00335633 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00335633. Following Lipinski's Rule of Five, BAS 00335633 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 00335633?
The CAS number of BAS 00335633 is 331463-59-3.
What is the molecular formula of BAS 00335633?
The molecular formula of BAS 00335633 is C21H25NO4.
What is the molecular weight of BAS 00335633?
The molecular weight of BAS 00335633 is 355.18 g/mol.
Where can I buy BAS 00335633?
You can request a quote for BAS 00335633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00335633?
Yes, KEHONG BIO provides custom synthesis services for BAS 00335633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.