![7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine structure](/static/products/3039/303984-46-5.webp)
7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
TL;DR: 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine (CAS 303984-46-5) is a chemical compound with molecular formula C21H18BrN3S and molecular weight 423.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-4-(4-bromophenyl)sulfanyl-5,6-dimethylpyrrolo[2,3-d]pyrimidine
Also Known As: 11L-316S, 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine, 7-benzyl-4-(4-bromophenyl)sulfanyl-5,6-dimethylpyrrolo[2,3-d]pyrimidine, 7-benzyl-2-(4-bromophenyl)sulfanyl-8,9-dimethyl-3,5,7-triazabicyclo[4.3.0]nona-2,4,8,10-tetraene
| Molecular Formula | C21H18BrN3S |
|---|---|
| Molecular Weight | 423.04 g/mol |
| LogP | 6.01014 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.04047 |
| Heavy Atoms | 26 |
| Complexity | 1056.2614 |
Chemical Identifiers
| CAS Number | 303984-46-5 |
|---|---|
| SMILES | CC1=C(N(C2=C1C(=NC=N2)SC3=CC=C(C=C3)Br)CC4=CC=CC=C4)C |
Product Overview
7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine (CAS 303984-46-5), with molecular formula C21H18BrN3S and molecular weight 423.04 g/mol. IUPAC: 7-benzyl-4-(4-bromophenyl)sulfanyl-5,6-dimethylpyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
Property Insights of 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
The XLogP value of 6.01014 indicates that 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-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 30.71 Ų, 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The CAS number of 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine is 303984-46-5.
What is the molecular formula of 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The molecular formula of 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine is C21H18BrN3S.
What is the molecular weight of 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The molecular weight of 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine is 423.04 g/mol.
Where can I buy 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
You can request a quote for 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-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 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-benzyl-4-[(4-bromophenyl)sulfanyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.