RefChem:314948
TL;DR: RefChem:314948 (CAS 2207-97-8) is a chemical compound with molecular formula C24H27N3O11 and molecular weight 533.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-formamido-3,5,6,8-tetrahydroxy-4-(hydroxymethyl)-7-methylidene-5,6,8-tris(2-oxoethyl)pyrrolo[1,2-a]indol-2-yl]amino]but-3-enoic acid
Also Known As: Acetamide, N-(2,3-dihydro-9-(hydroxymethyl)-6-methyl-1,5,7,8-tetrahydroxy-1H-pyrrolo(1,2-a)indol-2-yl)-, 1,5,7,8-tetraacetate 9-carbamate, 3-{[9-(formylamino)-1,5,7,8-tetrahydroxy-9-(hydroxymethyl)-6-methylidene-5,7,8-tris(2-oxoethyl)-5,7,8,9-tetrahydro-6h-pyrrolo[1,2-a]indol-2-yl]amino}but-3-enoic acid, Acetamide,N-(2,3-dihydro-9-(hydroxymethyl)-6-methyl-1,5,7,8-tetrahydroxy-1H-pyrrolo[1,2-a]indol-2-yl)-,1,5,7,8-tetraacetate 9-carbamate, 3-[[4-formamido-3,5,6,8-tetrahydroxy-4-(hydroxymethyl)-7-methylidene-5,6,8-tris(2-oxoethyl)pyrrolo[1,2-a]indol-2-yl]amino]but-3-enoic acid, 3-{[1,5,7,8-Tetrahydroxy-9-(hydroxymethyl)-9-[(hydroxymethylidene)amino]-6-methylidene-5,7,8-tris(2-oxoethyl)-5,7,8,9-tetrahydro-6H-pyrrolo[1,2-a]indol-2-yl]amino}but-3-enoic acid
| Molecular Formula | C24H27N3O11 |
|---|---|
| Molecular Weight | 533.16 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 533.16455 |
| Heavy Atoms | 38 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 2207-97-8 |
|---|---|
| SMILES | C=C1C(C2=C(C(C1(CC=O)O)(CC=O)O)C(C3=C(C(=CN32)NC(=C)CC(=O)O)O)(CO)NC=O)(CC=O)O |
| InChIKey | IVUBACHNFORGRP-UHFFFAOYSA-N |
Product Overview
RefChem:314948 (CAS 2207-97-8), with molecular formula C24H27N3O11 and molecular weight 533.16 g/mol. IUPAC: 3-[[4-formamido-3,5,6,8-tetrahydroxy-4-(hydroxymethyl)-7-methylidene-5,6,8-tris(2-oxoethyl)pyrrolo[1,2-a]indol-2-yl]amino]but-3-enoic acid.
Chemical Property Profile of RefChem:314948
Property Insights of RefChem:314948
The XLogP value of -4.0 indicates that RefChem:314948 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting RefChem:314948 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:314948 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:314948?
The CAS number of RefChem:314948 is 2207-97-8.
What is the molecular formula of RefChem:314948?
The molecular formula of RefChem:314948 is C24H27N3O11.
What is the molecular weight of RefChem:314948?
The molecular weight of RefChem:314948 is 533.16 g/mol.
Where can I buy RefChem:314948?
You can request a quote for RefChem:314948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314948?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.