苯甲酰-苯丙-缬-精-甲酯
TL;DR: 苯甲酰-苯丙-缬-精-甲酯 (CAS 75567-54-3) is a chemical compound with molecular formula C28H38N6O5 and molecular weight 538.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酰-苯丙-缬-精-甲酯
methyl (2S)-2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoate
Also Known As: Bpvame, Benzoyl-phe-val-arg-methyl ester, Benzoyl-L-phenylalanyl-L-valyl-L-arginine-L-methyl ester, benzoyl-L-phenylalanyl-L-valyl-L-arginine-L-methylester, methyl benzoyl-L-phenylalanyl-L-valyl-L-argininate
| Molecular Formula | C28H38N6O5 |
|---|---|
| Molecular Weight | 538.29 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 538.29034 |
| Heavy Atoms | 39 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 75567-54-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 |
| InChIKey | NVIJFUDECKEJJY-VABKMULXSA-N |
Product Overview
苯甲酰-苯丙-缬-精-甲酯 (CAS 75567-54-3), with molecular formula C28H38N6O5 and molecular weight 538.29 g/mol. IUPAC: methyl (2S)-2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoate.
Chemical Property Profile of 苯甲酰-苯丙-缬-精-甲酯
Property Insights of 苯甲酰-苯丙-缬-精-甲酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酰-苯丙-缬-精-甲酯. The TPSA of 178.0 Ų indicates high polarity, suggesting 苯甲酰-苯丙-缬-精-甲酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苯甲酰-苯丙-缬-精-甲酯 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苯甲酰-苯丙-缬-精-甲酯?
The CAS number of 苯甲酰-苯丙-缬-精-甲酯 is 75567-54-3.
What is the molecular formula of 苯甲酰-苯丙-缬-精-甲酯?
The molecular formula of 苯甲酰-苯丙-缬-精-甲酯 is C28H38N6O5.
What is the molecular weight of 苯甲酰-苯丙-缬-精-甲酯?
The molecular weight of 苯甲酰-苯丙-缬-精-甲酯 is 538.29 g/mol.
Where can I buy 苯甲酰-苯丙-缬-精-甲酯?
You can request a quote for 苯甲酰-苯丙-缬-精-甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酰-苯丙-缬-精-甲酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酰-苯丙-缬-精-甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.