H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1)
TL;DR: H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1) (CAS 235082-52-7) is a chemical compound with molecular formula C60H90N20O11S and molecular weight 1298.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2S)-1-[[(1R,4S,9S,11S,14S,19S)-14-[3-(diaminomethylideneamino)propyl]-2,12,15,20-tetraoxo-3,13,16,21-tetrazapentacyclo[19.8.0.03,11.04,9.023,28]nonacosa-23,25,27-trien-19-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
Also Known As: MEN 11270, (2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2S)-1-[[(1R,4S,9S,11S,14S,19S)-14-[3-(diaminomethylideneamino)propyl]-2,12,15,20-tetraoxo-3,13,16,21-tetrazapentacyclo[19.8.0.03,11.04,9.023,28]nonacosa-23,25,27-trien-19-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide, (2S,4R,Z)-1-((S)-1-((S)-2-((Z)-((R)-2-amino-5-guanidino-1-hydroxypentylidene)amino)-5-guanidinopentanoyl)pyrrolidine-2-carbonyl)-N-((Z)-2-(((2S,Z)-1-(((5S,8Z,10S,11Z,12aS,19aR)-10-(3-guanidinopropyl)-9,12-dihydroxy-4,19-dioxo-2,4,5,6,7,10,12a,13,13a,14,15
| Molecular Formula | C60H90N20O11S |
|---|---|
| Molecular Weight | 1298.68 g/mol |
| LogP | -4.58 |
| Topological Polar Surface Area | 495.29 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Exact Mass | 1298.6819 |
| Heavy Atoms | 92 |
| Complexity | 3082.8281 |
Chemical Identifiers
| CAS Number | 235082-52-7 |
|---|---|
| SMILES | C1CC[C@H]2[C@@H](C1)C[C@@H]3N2C(=O)[C@H]4CC5=CC=CC=C5CN4C(=O)[C@H](CCNC(=O)[C@@H](NC3=O)CCCN=C(N)N)NC(=O)[C@H](CC6=CC=CS6)NC(=O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@@H]8CCCN8C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O |
Product Overview
H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1) (CAS 235082-52-7), with molecular formula C60H90N20O11S and molecular weight 1298.68 g/mol. IUPAC: (2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2S)-1-[[(1R,4S,9S,11S,14S,19S)-14-[3-(diaminomethylideneamino)propyl]-2,12,15,20-tetraoxo-3,13,16,21-tetrazapentacyclo[19.8.0.03,11.04,9.023,28]nonacosa-23,25,27-trien-19-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide.
Chemical Property Profile of H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1)
Property Insights of H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1)
The XLogP value of -4.58 indicates that H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 495.29 Ų indicates high polarity, suggesting H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1) has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1)?
The CAS number of H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1) is 235082-52-7.
What is the molecular formula of H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1)?
The molecular formula of H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1) is C60H90N20O11S.
What is the molecular weight of H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1)?
The molecular weight of H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1) is 1298.68 g/mol.
Where can I buy H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1)?
You can request a quote for H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1)?
Yes, KEHONG BIO provides custom synthesis services for H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Dab(1)-D-Tic-Oic-Arg-(1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.