CID 31850
TL;DR: CID 31850 (CAS 23294-27-1) is a chemical compound with molecular formula C28H31I6N5O13 and molecular weight 1406.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: 5,5'-(DODECANEDIOYLDIIMINO)-BIS(2,4,6-TRIIODO-N-METHYLISOPHTHALAMATE MEGLUMINE, 3,3'-[(1,3-Dioxopropane-1,3-diyl)bis(azanediyl)]bis[2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid]--1-deoxy-1-(methylamino)hexitol (1/1), 3-[[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol, 3-[[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol, D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3'-[(1,12-dioxo-1,12-dodecanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate] (1:1) (salt)
| Molecular Formula | C28H31I6N5O13 |
|---|---|
| Molecular Weight | 1406.62 g/mol |
| LogP | 1.04 |
| Topological Polar Surface Area | 304.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 1406.6187 |
| Heavy Atoms | 52 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 23294-27-1 |
|---|---|
| SMILES | CNCC(C(C(C(CO)O)O)O)O.CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I |
| InChIKey | JNRBSXMZRLPHQI-UHFFFAOYSA-N |
Product Overview
CID 31850 (CAS 23294-27-1), with molecular formula C28H31I6N5O13 and molecular weight 1406.62 g/mol. IUPAC: 3-[[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol.
Chemical Property Profile of CID 31850
Property Insights of CID 31850
The XLogP value of 1.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 31850. The TPSA of 304.0 Ų indicates high polarity, suggesting CID 31850 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CID 31850 has 12 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CID 31850?
The CAS number of CID 31850 is 23294-27-1.
What is the molecular formula of CID 31850?
The molecular formula of CID 31850 is C28H31I6N5O13.
What is the molecular weight of CID 31850?
The molecular weight of CID 31850 is 1406.62 g/mol.
Where can I buy CID 31850?
You can request a quote for CID 31850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 31850?
Yes, KEHONG BIO provides custom synthesis services for CID 31850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.