BAS 00612972
TL;DR: BAS 00612972 (CAS 331838-89-2) is a chemical compound with molecular formula C19H19NO4S2 and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-dimethoxy-2-nitrophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylthiophene
Also Known As: BAS 00612972, 2-[(4,5-dimethoxy-2-nitrophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylthiophene, 2-[(4,5-dimethoxy-2-nitrophenyl)(5-methyl-2-thienyl)methyl]-5-methylthiophene
| Molecular Formula | C19H19NO4S2 |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 5.53204 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.07556 |
| Heavy Atoms | 26 |
| Complexity | 904.66974 |
Chemical Identifiers
| CAS Number | 331838-89-2 |
|---|---|
| SMILES | CC1=CC=C(S1)C(C2=CC=C(S2)C)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC |
Product Overview
BAS 00612972 (CAS 331838-89-2), with molecular formula C19H19NO4S2 and molecular weight 389.08 g/mol. IUPAC: 2-[(4,5-dimethoxy-2-nitrophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylthiophene.
Chemical Property Profile of BAS 00612972
Property Insights of BAS 00612972
The XLogP value of 5.53204 indicates that BAS 00612972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00612972. Following Lipinski's Rule of Five, BAS 00612972 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00612972?
The CAS number of BAS 00612972 is 331838-89-2.
What is the molecular formula of BAS 00612972?
The molecular formula of BAS 00612972 is C19H19NO4S2.
What is the molecular weight of BAS 00612972?
The molecular weight of BAS 00612972 is 389.08 g/mol.
Where can I buy BAS 00612972?
You can request a quote for BAS 00612972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00612972?
Yes, KEHONG BIO provides custom synthesis services for BAS 00612972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.