![2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇 structure](/static/products/2127/212779-48-1.webp)
2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇
TL;DR: 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇 (CAS 212779-48-1) is a chemical compound with molecular formula C16H19ClN6O and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇
2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol
Also Known As: compound 52, NG 52, compound52, 3bpr, 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE
| Molecular Formula | C16H19ClN6O |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.1309 |
| Heavy Atoms | 24 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 212779-48-1 |
|---|---|
| SMILES | CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC(=CC=C3)Cl |
| InChIKey | XZEFMZCNXDQXOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇 (CAS 212779-48-1), with molecular formula C16H19ClN6O and molecular weight 346.13 g/mol. IUPAC: 2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol.
Chemical Property Profile of 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇
Property Insights of 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇. Following Lipinski's Rule of Five, 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇 has 3 hydrogen bond donor(s) and 6 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 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇?
The CAS number of 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇 is 212779-48-1.
What is the molecular formula of 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇?
The molecular formula of 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇 is C16H19ClN6O.
What is the molecular weight of 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇?
The molecular weight of 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇 is 346.13 g/mol.
Where can I buy 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇?
You can request a quote for 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇?
Yes, KEHONG BIO provides custom synthesis services for 2-{6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基}氨基乙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.