CA 074
TL;DR: CA 074 (CAS 134448-10-5) is a chemical compound with molecular formula C18H29N3O6 and molecular weight 383.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
CA 074
(2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
Also Known As: CA 074, nPrHN-(2S,3S)-tEps-Ile-Pro-OH, N-(3-Propylcarbamoyloxirane-2-carbonyl)-isoleucyl-proline, L-Proline, 1-(N-((3-((propylamino)carbonyl)oxiranyl)carbonyl)-L-isoleucyl)-, (2S-trans)-, (2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
| Molecular Formula | C18H29N3O6 |
|---|---|
| Molecular Weight | 383.21 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 383.20563 |
| Heavy Atoms | 27 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 134448-10-5 |
|---|---|
| SMILES | CCCNC(=O)[C@@H]1C(O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)O |
| InChIKey | ZEZGJKSEBRELAS-KSFNBINOSA-N |
Product Overview
CA 074 (CAS 134448-10-5), with molecular formula C18H29N3O6 and molecular weight 383.21 g/mol. IUPAC: (2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of CA 074
Property Insights of CA 074
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CA 074. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CA 074. Following Lipinski's Rule of Five, CA 074 has 3 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 CA 074?
The CAS number of CA 074 is 134448-10-5.
What is the molecular formula of CA 074?
The molecular formula of CA 074 is C18H29N3O6.
What is the molecular weight of CA 074?
The molecular weight of CA 074 is 383.21 g/mol.
Where can I buy CA 074?
You can request a quote for CA 074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CA 074?
Yes, KEHONG BIO provides custom synthesis services for CA 074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.