BAS 00777364
TL;DR: BAS 00777364 (CAS 330179-90-3) is a chemical compound with molecular formula C20H15Cl2N3O2S and molecular weight 431.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
Also Known As: BAS 00777364, 3,6-dichloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-benzothiophene-2-carboxamide, 3,6-dichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
| Molecular Formula | C20H15Cl2N3O2S |
|---|---|
| Molecular Weight | 431.03 g/mol |
| LogP | 5.25822 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.0262 |
| Heavy Atoms | 28 |
| Complexity | 1272.3309 |
Chemical Identifiers
| CAS Number | 330179-90-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl |
Product Overview
BAS 00777364 (CAS 330179-90-3), with molecular formula C20H15Cl2N3O2S and molecular weight 431.03 g/mol. IUPAC: 3,6-dichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of BAS 00777364
Property Insights of BAS 00777364
The XLogP value of 5.25822 indicates that BAS 00777364 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, BAS 00777364 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00777364 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00777364?
The CAS number of BAS 00777364 is 330179-90-3.
What is the molecular formula of BAS 00777364?
The molecular formula of BAS 00777364 is C20H15Cl2N3O2S.
What is the molecular weight of BAS 00777364?
The molecular weight of BAS 00777364 is 431.03 g/mol.
Where can I buy BAS 00777364?
You can request a quote for BAS 00777364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00777364?
Yes, KEHONG BIO provides custom synthesis services for BAS 00777364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.