Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate
TL;DR: Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate (CAS 176504-89-5) is a chemical compound with molecular formula C14H28NO6P and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(3S)-1-dimethoxyphosphoryl-4,4-dimethyl-2-oxopentan-3-yl]carbamate
Also Known As: (1H-indazol-6-yl)methanol, DIMETHYL((3S)-4,4-DIMETHYL-3-(BOC-AMINO)-2-OXOPENTYL)-PHOSPHONATE, Bisindolylmaleimide I hydrochloride, 6614AH, Dimethyl((3S)-4,4-dimethyl-3-(Boc-amino)-2-oxopentyl)phosphonate
| Molecular Formula | C14H28NO6P |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 2.9808 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.16544 |
| Heavy Atoms | 22 |
| Complexity | 441.22986 |
Chemical Identifiers
| CAS Number | 176504-89-5 |
|---|---|
| SMILES | CC(C)(C)[C@@H](C(=O)CP(=O)(OC)OC)NC(=O)OC(C)(C)C |
Product Overview
Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate (CAS 176504-89-5), with molecular formula C14H28NO6P and molecular weight 337.17 g/mol. IUPAC: tert-butyl N-[(3S)-1-dimethoxyphosphoryl-4,4-dimethyl-2-oxopentan-3-yl]carbamate.
Chemical Property Profile of Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate
Property Insights of Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate
The XLogP value of 2.9808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate. Following Lipinski's Rule of Five, Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate?
The CAS number of Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate is 176504-89-5.
What is the molecular formula of Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate?
The molecular formula of Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate is C14H28NO6P.
What is the molecular weight of Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate?
The molecular weight of Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate is 337.17 g/mol.
Where can I buy Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate?
You can request a quote for Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.