N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide)
TL;DR: N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide) (CAS 392704-03-9) is a chemical compound with molecular formula C20H10Cl2N4O3S2 and molecular weight 487.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,2,5-oxadiazol-3-yl]-1-benzothiophene-2-carboxamide
Also Known As: CBKinase1_005922, CBKinase1_018322, N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide), AN-329/40059251, 3-chloro-N-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,2,5-oxadiazol-3-yl]-1-benzothiophene-2-carboxamide
| Molecular Formula | C20H10Cl2N4O3S2 |
|---|---|
| Molecular Weight | 487.96 g/mol |
| LogP | 6.3104 |
| Topological Polar Surface Area | 97.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.95712 |
| Heavy Atoms | 31 |
| Complexity | 1365.4408 |
Chemical Identifiers
| CAS Number | 392704-03-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=NON=C3NC(=O)C4=C(C5=CC=CC=C5S4)Cl)Cl |
Product Overview
N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide) (CAS 392704-03-9), with molecular formula C20H10Cl2N4O3S2 and molecular weight 487.96 g/mol. IUPAC: 3-chloro-N-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,2,5-oxadiazol-3-yl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide)
Property Insights of N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide)
The XLogP value of 6.3104 indicates that N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide). Following Lipinski's Rule of Five, N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide) has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide)?
The CAS number of N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide) is 392704-03-9.
What is the molecular formula of N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide)?
The molecular formula of N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide) is C20H10Cl2N4O3S2.
What is the molecular weight of N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide)?
The molecular weight of N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide) is 487.96 g/mol.
Where can I buy N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide)?
You can request a quote for N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-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 N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide)?
Yes, KEHONG BIO provides custom synthesis services for N,N'-1,2,5-oxadiazole-3,4-diylbis(3-chloro-1-benzothiophene-2-carboxamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.