L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester
TL;DR: L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester (CAS 184031-35-4) is a chemical compound with molecular formula C26H26Br2N3O8P and molecular weight 696.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-2-[[(2,4-dibromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
Also Known As: L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester, benzyl (2S)-2-[[(2,4-dibromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate, benzyl (2S)-2-[[(2,4-dibromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate, Benzyl N-[(2,4-dibromophenoxy){[(2S,5R)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methoxy}phosphoryl]-L-alaninate, Benzyl N-[(2,4-dibromophenoxy){[5-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methoxy}phosphoryl]alaninate
| Molecular Formula | C26H26Br2N3O8P |
|---|---|
| Molecular Weight | 696.98 g/mol |
| LogP | 4.74882 |
| Topological Polar Surface Area | 137.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 696.9824 |
| Heavy Atoms | 40 |
| Complexity | 1559.4841 |
Chemical Identifiers
| CAS Number | 184031-35-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](C)C(=O)OCC3=CC=CC=C3)OC4=C(C=C(C=C4)Br)Br |
Product Overview
L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester (CAS 184031-35-4), with molecular formula C26H26Br2N3O8P and molecular weight 696.98 g/mol. IUPAC: benzyl (2S)-2-[[(2,4-dibromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate.
Chemical Property Profile of L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester
Property Insights of L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester
The XLogP value of 4.74882 indicates that L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.95 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester. Following Lipinski's Rule of Five, L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester?
The CAS number of L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester is 184031-35-4.
What is the molecular formula of L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester?
The molecular formula of L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester is C26H26Br2N3O8P.
What is the molecular weight of L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester?
The molecular weight of L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester is 696.98 g/mol.
Where can I buy L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester?
You can request a quote for L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-Alanine, N-(2',3'-didehydro-3'-deoxy-P-(2,4-dibromophenyl)-5'-thymidylyl)-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.