Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)
TL;DR: Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1) (CAS 7645-01-4) is a chemical compound with molecular formula C28H41NO9 and molecular weight 535.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(methylamino)-4,4-diphenylheptanoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
Also Known As: Noracymethadol gluconate, Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1), 2-Heptanol, 6-(methylamino)-4,4-diphenyl-, acetate (ester), gluconate, Ethyl 6-(methylamino)-4,4-diphenylheptanoate--D-gluconic acid (1/1), Gluconic acid, compd. with 6-(methylamino)-4,4-diphenyl-3-heptanol acetate (ester) (1:1)
| Molecular Formula | C28H41NO9 |
|---|---|
| Molecular Weight | 535.28 g/mol |
| LogP | 0.8209 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 535.27814 |
| Heavy Atoms | 38 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 7645-01-4 |
|---|---|
| SMILES | CCOC(=O)CCC(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O |
| InChIKey | VQPSMBLYBNADSP-IFWQJVLJSA-N |
Product Overview
Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1) (CAS 7645-01-4), with molecular formula C28H41NO9 and molecular weight 535.28 g/mol. IUPAC: ethyl 6-(methylamino)-4,4-diphenylheptanoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid.
Chemical Property Profile of Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)
Property Insights of Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)
The XLogP value of 0.8209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1). The TPSA of 177.0 Ų indicates high polarity, suggesting Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1) has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)?
The CAS number of Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1) is 7645-01-4.
What is the molecular formula of Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)?
The molecular formula of Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1) is C28H41NO9.
What is the molecular weight of Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)?
The molecular weight of Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1) is 535.28 g/mol.
Where can I buy Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)?
You can request a quote for Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.