羥甲基胆素
TL;DR: 羥甲基胆素 (CAS 71861-60-4) is a chemical compound with molecular formula C40H46N4O17 and molecular weight 854.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羥甲基胆素
3-[5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
Also Known As: hydroxymethylbilane, Preuroporphyrinogen, (Hydroxymethyl)bilane, Hydroxymethylbilane(HMB), 3,8,13,18-tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid
| Molecular Formula | C40H46N4O17 |
|---|---|
| Molecular Weight | 854.29 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 382.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 27 |
| Exact Mass | 854.28577 |
| Heavy Atoms | 61 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 71861-60-4 |
|---|---|
| SMILES | C1=C(C(=C(N1)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CO)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O |
| InChIKey | WDFJYRZCZIUBPR-UHFFFAOYSA-N |
Product Overview
羥甲基胆素 (CAS 71861-60-4), with molecular formula C40H46N4O17 and molecular weight 854.29 g/mol. IUPAC: 3-[5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid.
Chemical Property Profile of 羥甲基胆素
Property Insights of 羥甲基胆素
The XLogP value of -0.9 indicates that 羥甲基胆素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 382.0 Ų indicates high polarity, suggesting 羥甲基胆素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 羥甲基胆素 has 13 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 羥甲基胆素?
The CAS number of 羥甲基胆素 is 71861-60-4.
What is the molecular formula of 羥甲基胆素?
The molecular formula of 羥甲基胆素 is C40H46N4O17.
What is the molecular weight of 羥甲基胆素?
The molecular weight of 羥甲基胆素 is 854.29 g/mol.
Where can I buy 羥甲基胆素?
You can request a quote for 羥甲基胆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羥甲基胆素?
Yes, KEHONG BIO provides custom synthesis services for 羥甲基胆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.