CI-959游离酸
TL;DR: CI-959游离酸 (CAS 104795-66-6) is a chemical compound with molecular formula C14H15N5O3S and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
CI-959游离酸
5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
Also Known As: CI-959 free acid, .trans-4-Chlor-crotonsaeure-aethylester, 5-Methoxy-3-(propan-2-yloxy)-N-(1H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide, 5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide, Benzo(b)thiophene-2-carboxamide, 5-methoxy-3-(1-methylethoxy)-N-2H-tetrazol-5-yl-
| Molecular Formula | C14H15N5O3S |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.08957 |
| Heavy Atoms | 23 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 104795-66-6 |
|---|---|
| SMILES | CC(C)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)NC3=NNN=N3 |
| InChIKey | TVVXHFWWAYXBNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CI-959游离酸 (CAS 104795-66-6), with molecular formula C14H15N5O3S and molecular weight 333.09 g/mol. IUPAC: 5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of CI-959游离酸
Property Insights of CI-959游离酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CI-959游离酸. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CI-959游离酸. Following Lipinski's Rule of Five, CI-959游离酸 has 2 hydrogen bond donor(s) and 7 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 CI-959游离酸?
The CAS number of CI-959游离酸 is 104795-66-6.
What is the molecular formula of CI-959游离酸?
The molecular formula of CI-959游离酸 is C14H15N5O3S.
What is the molecular weight of CI-959游离酸?
The molecular weight of CI-959游离酸 is 333.09 g/mol.
Where can I buy CI-959游离酸?
You can request a quote for CI-959游离酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI-959游离酸?
Yes, KEHONG BIO provides custom synthesis services for CI-959游离酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.