![3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide structure](/static/products/848/848686-27-1.png)
3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide
TL;DR: 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide (CAS 848686-27-1) is a chemical compound with molecular formula C25H18Cl2N2O2S and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
Also Known As: 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide, 3,6-dichloro-N-(3-(5-isopropylbenzo[d]oxazol-2-yl)phenyl)benzo[b]thiophene-2-carboxamide, 3,6-dichloro-N-[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide, 3,6-dichloro-N-[3-(5-propan-2-ylbenzooxazol-2-yl)phenyl]benzothiophene-2-carboxamide, 3,6-dichloro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
| Molecular Formula | C25H18Cl2N2O2S |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 8.392 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.0466 |
| Heavy Atoms | 32 |
| Complexity | 1486.4113 |
Chemical Identifiers
| CAS Number | 848686-27-1 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl |
Product Overview
3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide (CAS 848686-27-1), with molecular formula C25H18Cl2N2O2S and molecular weight 480.05 g/mol. IUPAC: 3,6-dichloro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide
Property Insights of 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide
The XLogP value of 8.392 indicates that 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide?
The CAS number of 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide is 848686-27-1.
What is the molecular formula of 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide?
The molecular formula of 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide is C25H18Cl2N2O2S.
What is the molecular weight of 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide?
The molecular weight of 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide is 480.05 g/mol.
Where can I buy 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide?
You can request a quote for 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,6-dichloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.