![5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine structure](/static/products/252/252722-87-5.png)
5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
TL;DR: 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CAS 252722-87-5) is a chemical compound with molecular formula C14H17ClN4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-chloro-7H-pyrrolo[2,3-d]pyrimidine
Also Known As: 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
| Molecular Formula | C14H17ClN4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 3.3802 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.11417 |
| Heavy Atoms | 19 |
| Complexity | 608.51184 |
Chemical Identifiers
| CAS Number | 252722-87-5 |
|---|---|
| SMILES | C1CCC2C(C1)CCN2C3=NC=NC4=C3C(=CN4)Cl |
Product Overview
5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CAS 252722-87-5), with molecular formula C14H17ClN4 and molecular weight 276.11 g/mol. IUPAC: 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-chloro-7H-pyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
Property Insights of 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
The XLogP value of 3.3802 indicates that 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has 1 hydrogen bond donor(s) and 3 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 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The CAS number of 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is 252722-87-5.
What is the molecular formula of 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The molecular formula of 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is C14H17ClN4.
What is the molecular weight of 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The molecular weight of 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is 276.11 g/mol.
Where can I buy 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
You can request a quote for 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-4-(octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.