Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide
TL;DR: Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide (CAS 1346672-53-4) is a chemical compound with molecular formula C30H38N8O7 and molecular weight 622.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamate
Also Known As: Z-Cit-arg-NH-mec, Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide, benzyl N-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamate, 3-Chloro-1-(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)propan-1-one, Ethyl 1-(Cyanomethyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
| Molecular Formula | C30H38N8O7 |
|---|---|
| Molecular Weight | 622.29 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 622.2863 |
| Heavy Atoms | 45 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 1346672-53-4 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)N(C(=O)[C@H](CCCNC(=O)N)N)C(=O)OCC3=CC=CC=C3 |
| InChIKey | ZATVQDQKRKDQOX-GOTSBHOMSA-N |
Product Overview
Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide (CAS 1346672-53-4), with molecular formula C30H38N8O7 and molecular weight 622.29 g/mol. IUPAC: benzyl N-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamate.
Chemical Property Profile of Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide
Property Insights of Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide. The TPSA of 248.0 Ų indicates high polarity, suggesting Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide?
The CAS number of Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide is 1346672-53-4.
What is the molecular formula of Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide?
The molecular formula of Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide is C30H38N8O7.
What is the molecular weight of Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide?
The molecular weight of Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide is 622.29 g/mol.
Where can I buy Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide?
You can request a quote for Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide?
Yes, KEHONG BIO provides custom synthesis services for Benzyloxycarbonylcitrullyl-arginine 4-methylcoumarin-7-ylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.