地拉韦啶
TL;DR: 地拉韦啶 (CAS 136817-59-9) is a chemical compound with molecular formula C22H28N6O3S and molecular weight 456.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地拉韦啶
N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Also Known As: Delavirdine, Rescriptor, Delavirdina, Delavirdine [INN], Delavirdinum
| Molecular Formula | C22H28N6O3S |
|---|---|
| Molecular Weight | 456.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.19437 |
| Heavy Atoms | 32 |
| Complexity | 749.0 |
| Melting Point | 226-228 °C |
| Solubility | 8.60e-02 g/L |
Chemical Identifiers
| CAS Number | 136817-59-9 |
|---|---|
| SMILES | CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C |
| InChIKey | WHBIGIKBNXZKFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地拉韦啶 (CAS 136817-59-9), with molecular formula C22H28N6O3S and molecular weight 456.19 g/mol. IUPAC: N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide.
Chemical Property Profile of 地拉韦啶
Property Insights of 地拉韦啶
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 地拉韦啶. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 地拉韦啶. Following Lipinski's Rule of Five, 地拉韦啶 has 3 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 地拉韦啶?
The CAS number of 地拉韦啶 is 136817-59-9.
What is the molecular formula of 地拉韦啶?
The molecular formula of 地拉韦啶 is C22H28N6O3S.
What is the molecular weight of 地拉韦啶?
The molecular weight of 地拉韦啶 is 456.19 g/mol.
Where can I buy 地拉韦啶?
You can request a quote for 地拉韦啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地拉韦啶?
Yes, KEHONG BIO provides custom synthesis services for 地拉韦啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.