TA 077
TL;DR: TA 077 (CAS 70189-62-7) is a chemical compound with molecular formula C19H34ClN3O12 and molecular weight 531.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
TA 077
1-butan-2-yl-3-(2-chloroethyl)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-3-nitrosourea
Also Known As: TA 077, 1-(2-Chloroethyl)-3-isobutyl-3-(beta-maltosyl)-1-nitrosourea, 1-butan-2-yl-3-(2-chloroethyl)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-3-nitrosourea, 2-(3-(2-Chloroethyl)-1-isobutyl-3-nitrosoureido)-2-deoxy-beta-maltose, Urea, N-(2-chloroethyl)-N'-(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)-N'-(2-methylpropyl)-N-nitroso-
| Molecular Formula | C19H34ClN3O12 |
|---|---|
| Molecular Weight | 531.18 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 531.1831 |
| Heavy Atoms | 35 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 70189-62-7 |
|---|---|
| SMILES | CCC(C)N([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C(=O)N(CCCl)N=O |
| InChIKey | PJWCGDFLDQIALE-GBIBZUPHSA-N |
Product Overview
TA 077 (CAS 70189-62-7), with molecular formula C19H34ClN3O12 and molecular weight 531.18 g/mol. IUPAC: 1-butan-2-yl-3-(2-chloroethyl)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-3-nitrosourea.
Chemical Property Profile of TA 077
Property Insights of TA 077
The XLogP value of -2.9 indicates that TA 077 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.0 Ų indicates high polarity, suggesting TA 077 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TA 077 has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TA 077?
The CAS number of TA 077 is 70189-62-7.
What is the molecular formula of TA 077?
The molecular formula of TA 077 is C19H34ClN3O12.
What is the molecular weight of TA 077?
The molecular weight of TA 077 is 531.18 g/mol.
Where can I buy TA 077?
You can request a quote for TA 077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TA 077?
Yes, KEHONG BIO provides custom synthesis services for TA 077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.