![2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇 structure](/static/products/2128/212844-53-6.webp)
2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇
TL;DR: 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇 (CAS 212844-53-6) is a chemical compound with molecular formula C19H25ClN6O and molecular weight 388.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇
2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
Also Known As: purvalanol A, PURVALANOLA, HSCI1_000128, J1.686.183I, L-745,870
| Molecular Formula | C19H25ClN6O |
|---|---|
| Molecular Weight | 388.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.17783 |
| Heavy Atoms | 27 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 212844-53-6 |
|---|---|
| SMILES | CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)Cl |
| InChIKey | PMXCMJLOPOFPBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇 (CAS 212844-53-6), with molecular formula C19H25ClN6O and molecular weight 388.18 g/mol. IUPAC: 2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol.
Chemical Property Profile of 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇
Property Insights of 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇
The XLogP value of 4.3 indicates that 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇. Following Lipinski's Rule of Five, 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-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-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇?
The CAS number of 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇 is 212844-53-6.
What is the molecular formula of 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇?
The molecular formula of 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇 is C19H25ClN6O.
What is the molecular weight of 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇?
The molecular weight of 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇 is 388.18 g/mol.
Where can I buy 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇?
You can request a quote for 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-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-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇?
Yes, KEHONG BIO provides custom synthesis services for 2-[[6-(3-氯苯氨基)-9-丙-2-基嘌呤-2-基]氨基]-3-甲基丁-1-醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.