Allomalformin
TL;DR: Allomalformin (CAS 83638-83-9) is a chemical compound with molecular formula C23H39N5O5S2 and molecular weight 529.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-sulfanylidenepropanoyl]amino]-3-sulfanylidenepropanoyl]amino]-3-methyl-N-[(2R)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
Also Known As: Allomalformin, Malformin A, 3-L-isoleucine-5-L-valine-, Cycl(cys-cys-ile-leu-val)cycl(1-2)disulfide, Cyclic(cysteinyl-cysteinyl-isoleucyl-leucyl-valyl)cyclic(1-2)disulfide, (2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-sulfanylidenepropanoyl]amino]-3-sulfanylidenepropanoyl]amino]-3-methyl-N-[(2R)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
| Molecular Formula | C23H39N5O5S2 |
|---|---|
| Molecular Weight | 529.24 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 529.23926 |
| Heavy Atoms | 35 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 83638-83-9 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C=O)C(C)C)NC(=O)[C@@H](C=S)NC(=O)[C@@H](C=S)N |
| InChIKey | SGUCVZMBOWPXNV-BVPSZOQCSA-N |
Product Overview
Allomalformin (CAS 83638-83-9), with molecular formula C23H39N5O5S2 and molecular weight 529.24 g/mol. IUPAC: (2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-sulfanylidenepropanoyl]amino]-3-sulfanylidenepropanoyl]amino]-3-methyl-N-[(2R)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide.
Chemical Property Profile of Allomalformin
Property Insights of Allomalformin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allomalformin. The TPSA of 224.0 Ų indicates high polarity, suggesting Allomalformin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Allomalformin has 5 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 Allomalformin?
The CAS number of Allomalformin is 83638-83-9.
What is the molecular formula of Allomalformin?
The molecular formula of Allomalformin is C23H39N5O5S2.
What is the molecular weight of Allomalformin?
The molecular weight of Allomalformin is 529.24 g/mol.
Where can I buy Allomalformin?
You can request a quote for Allomalformin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allomalformin?
Yes, KEHONG BIO provides custom synthesis services for Allomalformin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.