RefChem:326009
TL;DR: RefChem:326009 (CAS 134106-75-5) is a chemical compound with molecular formula C29H31BrN4O8 and molecular weight 642.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-(bromomethyl)-4-(dimethylcarbamoyloxy)-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
Also Known As: Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, methyl 8-(bromomethyl)-4-(dimethylcarbamoyloxy)-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate, Methyl 8-(bromomethyl)-4-[(dimethylcarbamoyl)oxy]-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate, RefChem:326009
| Molecular Formula | C29H31BrN4O8 |
|---|---|
| Molecular Weight | 642.13 g/mol |
| LogP | 4.96932 |
| Topological Polar Surface Area | 135.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 642.1325 |
| Heavy Atoms | 42 |
| Complexity | 1741.1 |
Chemical Identifiers
| CAS Number | 134106-75-5 |
|---|---|
| SMILES | CC1=C(C2=C3C(CN(C3=CC(=C2N1)OC(=O)N(C)C)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CBr)C(=O)OC |
Product Overview
RefChem:326009 (CAS 134106-75-5), with molecular formula C29H31BrN4O8 and molecular weight 642.13 g/mol. IUPAC: methyl 8-(bromomethyl)-4-(dimethylcarbamoyloxy)-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate.
Chemical Property Profile of RefChem:326009
Property Insights of RefChem:326009
The XLogP value of 4.96932 indicates that RefChem:326009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.42 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326009. Following Lipinski's Rule of Five, RefChem:326009 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326009?
The CAS number of RefChem:326009 is 134106-75-5.
What is the molecular formula of RefChem:326009?
The molecular formula of RefChem:326009 is C29H31BrN4O8.
What is the molecular weight of RefChem:326009?
The molecular weight of RefChem:326009 is 642.13 g/mol.
Where can I buy RefChem:326009?
You can request a quote for RefChem:326009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326009?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.