Hydrin 1
TL;DR: Hydrin 1 (CAS 144606-93-9) is a chemical compound with molecular formula C57H93N21O16S2 and molecular weight 1391.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Also Known As: Hydrin 1, Hydrin 1 (9CI), H-CYIQNCPRGGKR-OH, KST-1B0496, (ARG8,GLY10,LYS11,ARG12)-VASOTOCIN
| Molecular Formula | C57H93N21O16S2 |
|---|---|
| Molecular Weight | 1391.65 g/mol |
| LogP | -9.3 |
| Topological Polar Surface Area | 686.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 33 |
| Exact Mass | 1391.655 |
| Heavy Atoms | 96 |
| Complexity | 2750.0 |
Chemical Identifiers
| CAS Number | 144606-93-9 |
|---|---|
| SMILES | CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CC(=O)N)CCC(=O)N |
| InChIKey | BJRAYGWQMPNTHC-CAOVDFMNSA-N |
Product Overview
Hydrin 1 (CAS 144606-93-9), with molecular formula C57H93N21O16S2 and molecular weight 1391.65 g/mol. IUPAC: (2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid.
Chemical Property Profile of Hydrin 1
Property Insights of Hydrin 1
The XLogP value of -9.3 indicates that Hydrin 1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 686.0 Ų indicates high polarity, suggesting Hydrin 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydrin 1 has 20 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydrin 1?
The CAS number of Hydrin 1 is 144606-93-9.
What is the molecular formula of Hydrin 1?
The molecular formula of Hydrin 1 is C57H93N21O16S2.
What is the molecular weight of Hydrin 1?
The molecular weight of Hydrin 1 is 1391.65 g/mol.
Where can I buy Hydrin 1?
You can request a quote for Hydrin 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrin 1?
Yes, KEHONG BIO provides custom synthesis services for Hydrin 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.