K-13 (Ace inhib)
TL;DR: K-13 (Ace inhib) (CAS 958792-48-8) is a chemical compound with molecular formula C29H29N3O8 and molecular weight 547.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[[(2S)-2-[[(Z)-2-acetamido-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Also Known As: K-13 (Ace inhib), K-13, (E)-2-[[(2S)-2-[[(Z)-2-acetamido-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(3,4-dihydroxyphenyl)prop-2-enoic acid, L-Tyrosine, N-acetyl-L-tyrosyl-L-tyrosyl-3-hydroxy-, cyclic (1-3(sup 3))-ether, (E)-2-(((S)-2-((Z)-2-acetamido-3-(4-hydroxyphenyl)acrylamido)-3-(4-hydroxyphenyl)propyl)amino)-3-(3,4-dihydroxyphenyl)acrylic acid
| Molecular Formula | C29H29N3O8 |
|---|---|
| Molecular Weight | 547.20 g/mol |
| LogP | 2.4288 |
| Topological Polar Surface Area | 188.45 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 547.19543 |
| Heavy Atoms | 40 |
| Complexity | 1430.6381 |
Chemical Identifiers
| CAS Number | 958792-48-8 |
|---|---|
| SMILES | CC(=O)N/C(=C\C1=CC=C(C=C1)O)/C(=O)N[C@@H](CC2=CC=C(C=C2)O)CN/C(=C/C3=CC(=C(C=C3)O)O)/C(=O)O |
Product Overview
K-13 (Ace inhib) (CAS 958792-48-8), with molecular formula C29H29N3O8 and molecular weight 547.20 g/mol. IUPAC: (E)-2-[[(2S)-2-[[(Z)-2-acetamido-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(3,4-dihydroxyphenyl)prop-2-enoic acid.
Chemical Property Profile of K-13 (Ace inhib)
Property Insights of K-13 (Ace inhib)
The XLogP value of 2.4288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for K-13 (Ace inhib). The TPSA of 188.45 Ų indicates high polarity, suggesting K-13 (Ace inhib) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, K-13 (Ace inhib) has 8 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 K-13 (Ace inhib)?
The CAS number of K-13 (Ace inhib) is 958792-48-8.
What is the molecular formula of K-13 (Ace inhib)?
The molecular formula of K-13 (Ace inhib) is C29H29N3O8.
What is the molecular weight of K-13 (Ace inhib)?
The molecular weight of K-13 (Ace inhib) is 547.20 g/mol.
Where can I buy K-13 (Ace inhib)?
You can request a quote for K-13 (Ace inhib) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for K-13 (Ace inhib)?
Yes, KEHONG BIO provides custom synthesis services for K-13 (Ace inhib) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.