Pradimicin T1
TL;DR: Pradimicin T1 (CAS 149598-64-1) is a chemical compound with molecular formula C42H45NO23 and molecular weight 931.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
Also Known As: Pradimicin T1, Pradimicin Tl, PRM T1, HY-N14436, Glycine, N-((5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-(beta-L-xylopyranosyloxy)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
| Molecular Formula | C42H45NO23 |
|---|---|
| Molecular Weight | 931.24 g/mol |
| LogP | -3.41808 |
| Topological Polar Surface Area | 398.68 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 9 |
| Exact Mass | 931.2382 |
| Heavy Atoms | 66 |
| Complexity | 2478.2485 |
Chemical Identifiers
| CAS Number | 149598-64-1 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NCC(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)O[C@@H]7[C@H]([C@@H]([C@H](CO7)O)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O |
Product Overview
Pradimicin T1 (CAS 149598-64-1), with molecular formula C42H45NO23 and molecular weight 931.24 g/mol. IUPAC: 2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid.
Chemical Property Profile of Pradimicin T1
Property Insights of Pradimicin T1
The XLogP value of -3.41808 indicates that Pradimicin T1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 398.68 Ų indicates high polarity, suggesting Pradimicin T1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicin T1 has 14 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pradimicin T1?
The CAS number of Pradimicin T1 is 149598-64-1.
What is the molecular formula of Pradimicin T1?
The molecular formula of Pradimicin T1 is C42H45NO23.
What is the molecular weight of Pradimicin T1?
The molecular weight of Pradimicin T1 is 931.24 g/mol.
Where can I buy Pradimicin T1?
You can request a quote for Pradimicin T1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pradimicin T1?
Yes, KEHONG BIO provides custom synthesis services for Pradimicin T1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.